Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 264-261-4 | CAS number: 63469-23-8
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- May 2022
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v4.1
2. MODEL (incl. version number)
ECOSAR v1.11
The following sub-models are covered for this QSAR analysis, all predicting 96-hour LC50 values for freshwater fish:
-Aliphatic Amines
-Neutral Organic SAR
-Aldehydes (Mono)
-Aliphatic Amines-acid
-Neutral Organics-acid
-Neutral Organics
-Aldehydes (Mono)-acid
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
ECOSAR only requires a chemical structure as SMILES as input. All SMILES codes are available in the attached QPRF.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
ECOSAR predictions were also made for acute aquatic toxicity to algae and invertebrates. Only for
the substance group Aldehydes (Mono) were fish the most sensitive species. The structural similarity of the test compounds to the training set chemicals was limited, therefore the predictions should be used with caution. A detailed assessment of the applicability domain of this model can be found in the attached QPRF.
6. ADEQUACY OF THE RESULT
The main purpose of this QSAR analysis, was to assess the aquatic toxicity of the predicted biodegradation products of JeffCat DPA (CAS# 63469-23-8) for use in the PBT/vPvB assessment. All predicted effects concentrations were well above the screening criterion for any of the substances to fulfill the T criterion. Although the modelling results should be interpreted with care, they allow a large margin of error and indicate that according to the estimated aquatic toxicity, none of the biodegradation products are expected to fulfill the T criterion. The predictions can be considered appropriate for this use. - Reason / purpose for cross-reference:
- other: Record containing the log Kow values (predicted with KOWWIN v1.68) needed for the predicti on of acute toxicity to fish.
- Reason / purpose for cross-reference:
- other: Record describing the biodegradation products of JeffCat DPA (CAS# 63469-23-8) predicted by EAWAG-BBD PPS, for which acute toxicity to fish is estimated.
- Principles of method if other than guideline:
- Estimation of the acute aquatic toxicity to freshwater fish using ECOSAR v4.11.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Predictions were made for the 41 biodegradation products predicted by the EAWAG-BBD PPS tool.
- Details on test organisms:
- Freshwater fish
- Sublethal observations / clinical signs:
The table below lists the ECOSAR v4.11 predictions for the compounds for which fish was the most sensitive species. All results are available in the QPRF.
Name
ECOSAR Aldehyde 96 hr LC50 for fish (mg/L)
2-Hydroxypropanal
203.742
2-Oxopropanal (Methylglyoxal)
278.723
3-Oxopropanoic acid
1683.874
- Conclusions:
- Overall, a very low aquatic toxicity to fish was estimated for the modelled compounds. The lowest LC50 obtained for fish within the substances identified as aldehydes, was 204 mg/L. Although the modelling results should be interpreted with care, they allow a very large margin of error and indicate that according to their estimated aquatic toxicity, none of the biodegradation products are expected to fulfill the T criterion.
- Endpoint:
- short-term toxicity to fish
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2011-12-05 - 2011-12-12
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 1,1-[[3-(dimethylamino)propyl]imino]bis(2-propanol)
- Substance type: organic
- Physical state: clear amber liquid
- Analytical purity: 85.7%
- Impurities (identity and concentrations): not reported
- Lot/batch No.: PFW100241
- Storage condition of test material: at ambient temperature in original container - Analytical monitoring:
- yes
- Details on sampling:
- - Samples for test substance concentration verification were taken at 0 and 96 h.
- Vehicle:
- no
- Details on test solutions:
- - A 120 mg/L test solution of 1,1’-[[3-(DIMETHYLAMINO)PROPYL]IMINO]BIS(2-PROPANOL) was prepared by adding a nominal solution of 1.2 g to 10 L of dilution water. The test solution was stirred vigorously for 15 minutes resulting in a clear colourless solution. The pH of the test solution was adjusted from 10.1 to 7.7 using 1M HCl.
- Dilution water: tap water which had been coarsely filtered to remove particulate material, passed through activated carbon and dechlorinated using sodium thiosulphate. Salts were added, as required, to maintain minimum hardness levels, and the treated water passed through an ultraviolet steriliser and filtered to 10 μm. - Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Details on test organisms:
- TEST ORGANISM
- Common name: rainbow trout
- Source: Houghton Springs Fish Farm, Winterbourne Houghton, Blandford Forum, Dorset, DT11 0PD
- Age at study initiation (mean and range, SD): not reported (juvenile)
- Length at study initiation (length definition, mean, range and SD): not reported
- Weight at study initiation (mean and range, SD): not reported
- Feeding during test: no
ACCLIMATION
- Acclimation period: approx 4 wks
- Acclimation conditions (same as test or not): same as test
- Type and amount of food: commercial fish food (amount not specified)
- Feeding frequency: daily
- Prophylactic treatment: a twice daily treatment of formalin and malachite green which was completed > 7 days before the start of the test (upon arrival until finalisation of this treatment fish were also held in 20% seawater)
- Health during acclimation (any mortality observed): no mortalities recorded within 7 days prior to the start of the study - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- yes
- Total exposure duration:
- 96 h
- Hardness:
- In the dechlorinated water supply: 61.0 mg/L expressed as CaCO3
- Test temperature:
- 14.5 - 15.0 °C
- pH:
- 7.35 - 7.86
- Dissolved oxygen:
- 7.85 - 10.29 mg/L
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Nominal: 0, 120 mg/L
Measured: < 1.0, 130 mg/L at both t=0 and t= 96h - Details on test conditions:
- TEST SYSTEM
- Test vessel: glas vessels
- Type (delete if not applicable): open
- Material, size, headspace, fill volume: glass, 10 L, fill volume not reported
- Aeration: yes, gently
- No. of organisms per vessel: 10
- No. of vessels per concentration (replicates): 1
- No. of vessels per control (replicates): 1
TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: as described under "details on test solution"
- Total organic carbon: 2.49 mg/L
- Particulate matter: <3 mg/L
- Metals: not reported
- Pesticides: < 0.05 μg/L (organo chlorine), < 0.01 μg/L (organo phosphorus)
- Chlorine: < 2 μg/L, as Cl2, free as well as total
- Alkalinity: 30.2 mg/L as CaCO3
- Ca/mg ratio: not reported
- Conductivity: 233 μS/cm
- Intervals of water quality measurement: pH and conductivity daily, alkalinity, hardness and free & total chlorine once per week, other parameters quarterly.
- During the test, pH, temperature, and dissolved oxygen concentrations were measured daily.
OTHER TEST CONDITIONS
- Adjustment of pH: from 10.1 to 7.7 using 1M HCl
- Photoperiod: 16h day, 8h night, 20 min dawn
- Light intensity: not reported
EFFECT PARAMETERS MEASURED (with observation intervals if applicable): mortality (at 3, 24, 48, 72 and 96 h)
TEST CONCENTRATIONS
- Test concentrations: 0 (dilution water) and 120 mg/L - Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- > 120 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Details on results:
- - Behavioural abnormalities: none
- Observations on body length and weight: control fish at end of exposure period: weight: range 0.75 - 1.18 g, mean 0.94 g; length: range 40 - 48 mm, mean 44 mm
- Other biological observations: none
- Mortality of control: no
- Other adverse effects control: none
- Abnormal responses: none
- Any observations (e.g. precipitation) that might cause a difference between measured and nominal values: no
- Effect concentrations exceeding solubility of substance in test medium: no - Reported statistics and error estimates:
- none
- Validity criteria fulfilled:
- yes
- Conclusions:
- Juvenile rainbow trout (Oncorhynchus mykiss) was exposed to the test substance at 0 and 120 mg/L (limit test). No mortality was observed and the 96-h LC50 is concluded to be > 120 mg/L. Measured concentrations were in agreement with nominal concentrations.
Referenceopen allclose all
Description of key information
The study of Vaughan et al. (2012) is selected as key study for endpoint coverage. The study is a limit test investigating the acute toxicity of the substance to fish according to the OECD guideline 203. The 96h-LC50 was determined to be > 120 mg/L (nominal) based on the mortality of Rainbow trout (Oncorynchus mykiss) under static conditions. The study is given a Klimisch score of 1 and was performed under GLP conditions.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Dose descriptor:
- LC50
- Effect concentration:
- > 120 mg/L
Additional information
Additionally, a QSAR analysis was carried out to assess the aquatic toxicity of the predicted biodegradation products of the substance for use in the PBT/vPvB assessment. Estimations were carried out using ECOSAR v1.11. All predicted effects concentrations were above the screening criterion for any of the substances to fulfill the T criterion (the lowest 96h-LC50 obtained for fish was 113.4 mg/L).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.