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EC number: 219-440-1 | CAS number: 2437-25-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Skin irritation:
The dermal irritation potential of Dodecanenitrile (CAS No: 2437-25-4) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The substance Dodecanenitrile (CAS No: 2437-25-4) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result Dodecanenitrile (CAS No: 2437-25-4) can be considered to be irritating to skin and can be classified under the category ˋ Category 2 (irritant)’ as per CLP regulation.
Eye irritation:
The ocular irritation potential of Dodecanenitrile (CAS No: 2437-25-4) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The substance Dodecanenitrile (CAS No: 2437-25-4) was estimated to be not irritating into the eyes of rabbits. Based on the estimated result Dodecanenitrile (CAS No: 2437-25-4) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.4 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Dodecanenitrile
- Molecular formula: C12H23N
- Molecular weight: 181.321 g/mole
- Smiles notation: C(CCCCCC)CCCCC#N
- InChl: 1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
- Substance type: Organic
- Physical state: colourless liquid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- semiocclusive
- Preparation of test site:
- shaved
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 72 hours
- Number of animals:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Skin irritation was observed in treated rabbits.
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- The substance Dodecanenitrile (CAS No: 2437-25-4) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result Dodecanenitrile (CAS No: 2437-25-4) can be considered to be irritating to skin.
- Executive summary:
The dermal irritation potential of Dodecanenitrile (CAS No: 2437-25-4) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The substance Dodecanenitrile (CAS No: 2437-25-4) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result Dodecanenitrile (CAS No: 2437-25-4) can be considered to be irritating to skin and can be classified under the category ˋ Category 2 (irritant)’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and "ac" )
and "ad" )
and "ae" )
and ("af"
and "ag" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acetylenic Carbon [#C] AND
Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon
[-CH3] AND Cyano, aliphatic attach [-C#N] by Organic functional groups
(US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Aromatic amines OR Ketones OR
Phenols by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Aqueous Solubility < 0.1 g/L AND Group CN log Kow >
4.5 by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group CN log Kow > 5.5 OR Group
CN Melting Point > 180 C by Skin irritation/corrosion Exclusion rules by
BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Aqueous Solubility < 0.1 g/L AND Group CN log Kow >
4.5 by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Group CNHal Aqueous Solubility <
0.1 g/L by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Aqueous Solubility < 0.1 g/L AND Group CN log Kow >
4.5 by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group CNS Melting Point > 120 C
by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.4
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Michael Addition OR Michael
Addition >> Michael addition on conjugated systems with electron
withdrawing group OR Michael Addition >> Michael addition on conjugated
systems with electron withdrawing group >> Cyanoalkenes OR SN2 OR SN2 >>
Nucleophilic substitution on benzilyc carbon atom OR SN2 >> Nucleophilic
substitution on benzilyc carbon atom >> alpha-Activated benzyls OR SN2
>> SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3
carbon atom >> Activated alkyl esters and thioesters by Protein binding
alerts for skin sensitization by OASIS v1.4
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aliphatic azo and azoxy
(Genotox) OR Halogenated benzene (Nongenotox) OR Hydrazine (Genotox) OR
Nitro-aromatic (Genotox) OR Primary aromatic amine,hydroxyl amine and
its derived esters (Genotox) OR Structural alert for genotoxic
carcinogenicity OR Structural alert for nongenotoxic carcinogenicity OR
Substituted n-alkylcarboxylic acids (Nongenotox) by Carcinogenicity
(genotox and nongenotox) alerts by ISS
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as tert-Butyl by Organic Functional
groups
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Terpenes by Organic Functional
groups
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Organic amide and thioamide OR
Phosphinate ester OR Silane OR Sulfide by Organic Functional groups
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Ether by Organic Functional
groups
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Biphenyl by Organic Functional
groups
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Aryl halide OR Carboxylic acid
by Organic Functional groups
Domain
logical expression index: "ac"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "ad"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "ae"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=80%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "af"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.4
Domain
logical expression index: "ag"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.96
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.4 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Dodecanenitrile
- Molecular formula: C12H23N
- Molecular weight: 181.321 g/mole
- Smiles notation: C(CCCCCC)CCCCC#N
- InChl: 1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
- Substance type: Organic
- Physical state: colourless liquid - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 72 hours
- Observation period (in vivo):
- 24/48/72 hours
- Duration of post- treatment incubation (in vitro):
- No data available
- Number of animals or in vitro replicates:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No eye irritation was observed.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The substance Dodecanenitrile (CAS No: 2437-25-4) was estimated to be not irritating into the eyes of rabbits. Based on the estimated result Dodecanenitrile (CAS No: 2437-25-4) can be considered to be not irritating to eye.
- Executive summary:
The ocular irritation potential of Dodecanenitrile (CAS No: 2437-25-4) was estimated using OECD QSAR toolbox version 3.4 with logPow as the primary descriptor. The substance Dodecanenitrile (CAS No: 2437-25-4) was estimated to be not irritating into the eyes of rabbits. Based on the estimated result Dodecanenitrile (CAS No: 2437-25-4) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and "l" )
and "m" )
and "n" )
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic Functional
groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acetylenic Carbon [#C] AND
Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon
[-CH3] AND Cyano, aliphatic attach [-C#N] by Organic functional groups
(US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Nitrile by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.4
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >>
Acylation involving an activated (glucuronidated) ester group OR
Acylation >> Acylation involving an activated (glucuronidated) ester
group >> Arenecarboxylic Acid Esters OR Acylation >> Ester aminolysis OR
Acylation >> Ester aminolysis >> Amides OR AN2 OR AN2 >> Michael
addition to activated double bonds OR AN2 >> Michael addition to
activated double bonds >> alpha,beta-Unsaturated Carbonyls and Related
Compounds OR AN2 >> Michael addition to alpha, beta-unsaturated acids
and esters OR AN2 >> Michael addition to alpha, beta-unsaturated acids
and esters >> alpha,beta-Unsaturated Carboxylic Acids and Esters OR AN2
>> Michael type addition to activated double bond of pyrimidine bases OR
AN2 >> Michael type addition to activated double bond of pyrimidine
bases >> Pyrimidines and Purines OR AN2 >> Michael-type addition to
quinoid structures OR AN2 >> Michael-type addition to quinoid
structures >> N-Substituted Aromatic Amines OR AN2 >> Michael-type
addition to quinoid structures >> Substituted Anilines OR AN2 >>
Michael-type addition to quinoid structures >> Substituted Phenols OR
AN2 >> Schiff base formation with carbonyl group of pyrimidine and
purine bases OR AN2 >> Schiff base formation with carbonyl group of
pyrimidine and purine bases >> Pyrimidines and Purines OR Michael
addition OR Michael addition >> Michael addition on conjugated systems
with electron withdrawing group OR Michael addition >> Michael addition
on conjugated systems with electron withdrawing group >> Cyanoalkenes OR
Nucleophilic addition OR Nucleophilic addition >> Addition to
carbon-hetero double bonds OR Nucleophilic addition >> Addition to
carbon-hetero double bonds >> Ketones OR SN2 OR SN2 >> Cyanoalkylation
of proteins via the nucleophilic substitution at sp3-carbon atom of
cyanohydrins OR SN2 >> Cyanoalkylation of proteins via the nucleophilic
substitution at sp3-carbon atom of cyanohydrins >> Cyanohydrins OR SN2
>> Nucleophilic substitution on benzilyc carbon atom OR SN2 >>
Nucleophilic substitution on benzilyc carbon atom >> alpha-Activated
benzyls OR SN2 >> SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2
Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters
OR SN2 >> Thiocyanate formation via the nucleophilic-type substitution
at the disulfide bond of proteins and enzymes OR SN2 >> Thiocyanate
formation via the nucleophilic-type substitution at the disulfide bond
of proteins and enzymes >> Cyanohydrins by Protein binding by OASIS v1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR Acylation >> Direct Acylation
Involving a Leaving group >> Azlactone OR SN2 OR SN2 >> SN2 reaction at
sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl
acetates and related chemicals OR SN2 >> SN2 reaction at sp3 carbon atom
>> alpha-Haloalkenes (and related cyano, sulfate and sulfonate subs.
chem.) by Protein binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "l"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Similarity
boundary:Target:
CCCCCCCCCCCC#N
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.8
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.61
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemical Dodecanenitrile (CAS No: 2437-25-4) to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and guinea pigs for target chemical Dodecanenitrile (CAS No: 2437-25-4) and its structurally similar read across substances Myristonitrile (CAS No: 629-63-0) and Butanenitrile (CAS No: 109-74-0). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemicalDodecanenitrile (CAS No: 2437-25-4) .The chemical Dodecanenitrile (CAS No: 2437-25-4) is estimated to be irritating to skin of New Zealand White rabbits.
The D. L. J. Opdyke (2000) conducted skin irritation study ofstructurally similar read across substanceMyristonitrile (CAS No: 629-63-0) on six guinea pigs as part of an open epicutaneous test during the 21-day induction period which supports the above mentioned result. In this test, a 0.1 ml aliquot of the test material was applied to an 8cm2area on the clipped flanks of six guinea pigs once daily for 21 consecutive days. Reactions were read 24 hr after application.The treated guinea pigs produced moderate to strong skin irritation reactions. Hence under this experimental condition, the chemicalMyristonitrile (CAS No: 629-63-0) was considered to be irritating to the guinea pigs’ skin.
The above results were further supported by experimental study reported by RTECS ® (2017) forstructurally similar read across substanceButanenitrile (CAS No: 109-74-0) on rabbits under non-occlusive condition. About 395 mg of Butanenitrile was applied onto the skin of each rabbit and later examined for skin reaction. The rabbits showed mild skin irritating effects. Hence the chemical, Butanenitrile (CAS No: 109-74-0) wasconsidered to beirritatingto therabbits’ skin.
Thus on the basis of available data for the target chemical Dodecanenitrile (CAS No: 2437-25-4) and its structurally similar read across substances Myristonitrile (CAS No: 629 -63 -0) and Butanenitrile (CAS No: 109-74-0),it can be concluded that chemical Dodecanenitrile (CAS No: 2437-25-4) is able to cause skin irritation and considered as irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2(irritant)”.
Eye irritation:
In different studies,the test chemicalDodecanenitrile (CAS No: 2437-25-4) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical Dodecanenitrile (CAS No: 2437 -25 -4) and its closest read across substance usinglog Pow as the primary descriptor 2,2'-Azobis(isobutyronitrile)(CAS No: 78-67-1) and 2,2'-Azobis(2-methylbutyronitrile) (CAS No: 13472-08-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the eye irritation potential was estimated for test chemicalDodecanenitrile (CAS No: 2437-25-4) .The chemical Dodecanenitrile (CAS No: 2437-25-4) is estimated to be not irritating to eye of rabbits.
The OECD SIDS -United Nations Environmental Programme (UNEP, 1999) reported an ocular irritation study for readacross substance 2,2'-Azobis(isobutyronitrile)(CAS No: 78-67-1) in New Zealand White rabbits in accordance with OECD TG 405 and EC TG 92/69/E.E.C., B5. A single dose of 100 mg of 2,2'-azobis(2-methylpropanitrile) in original form of was administered into the conjunctival sac of the left eye by gently pulling the lower lid away from the eyeball while the right eye, which remained untreated, served as a control. The eyes were not rinsed and examined approximately one hour, 24, 48 and 72 hours after administration. The treated rabbits did not produce any ocular lesions. Hence the chemical2,2'-Azobis(isobutyronitrile) (CAS No: 78 -67 -1) was considered to be not irritating to the New Zealand White rabbits’ eye.
The above results were further supported by the experimental study conducted on two male albino rabbits for the readacross substance2,2'-Azobis(2-methylbutyronitrile) (CAS No: 13472-08-7) by U. S. Environmental Protection Agency (EPA) Office of Pollution Prevention and Toxics (OPPT) Risk Assessment Division (RAD, 2002) under occlusive condition. The solid test substance (28.4 mg) was placed into the right conjunctival sac of each of 2 male albino rabbits. After 20 seconds, 1 treated eye was washed with tap water for 1 minute. The treated eye of the other rabbit was not washed. Observations of the cornea, iris, and conjunctiva were made with a hand-slit lamp at 1 and 4 hours, and at 1, 2, and 3 days. Fluor-i-strip®stain and a biomicroscope wereused at examinations after the day of treatment. The test substance produced no corneal, iritic, or conjunctival effects at any time when tested in rabbit eyes. Hencethe chemical2,2'-Azobis(2-methylbutyronitrile) (CAS No: 13472-08-7)was considered to be not irritating to the rabbits’ eye.
Thus on the basis of available data for the target chemical Dodecanenitrile (CAS No: 2437-25-4) and its closet read across substance using log Pow as the primary descriptor 2,2'-Azobis(isobutyronitrile) (CAS No: 78 -67 -1) and 2,2'-Azobis(2 -methylbutyronitrile) (CAS No: 13472 -08 -7), it can be concluded that chemical Dodecanenitrile (CAS No: 2437 -25 -4) is unable to cause eye irritation and considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemical Dodecanenitrile (CAS No: 2437-25-4) and its read across substances were observed in various studies. The results obtained from these studies indicate that the chemical Dodecanenitrile (CAS No: 2437-25-4) is able to cause skin irritation but unlikely to cause ocular lesions. Hence Dodecanenitrile (CAS No: 2437-25-4) can be classified under the category “Category 2 (irritant)” for skin and “Not Classified” for eye as per CLP classification criteria.
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