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EC number: 310-012-0 | CAS number: 102110-14-5 A complex combination of hydrocarbons obtained by distillation of steam-cracked naphtha. It consists predominantly of hydrocarbons having carbon numbers in the range of C3 through C6, predominantly C5.
- 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
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Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non GLP, QSAR calculation, acceptable with restrictions.
- Justification for type of information:
- This endpoint is adapted in accordance with REACH Annex XI, Section 1.3 (QSAR). EPISuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Constituents within LOA streams fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Reason / purpose for cross-reference:
- assessment report
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Principles of method if other than guideline:
- BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:
BIOWIN 2 = nonlinear probability model
BIOWIN 3 = expert survey ultimate biodegradation model
BIOWIN 5 = MITI linear model
BIOWIN 6 = MITI nonlinear model
Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).
The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches. - GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
Not applicable - Oxygen conditions:
- aerobic
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not applicable
- Based on:
- other: QSAR calculation
- Parameter followed for biodegradation estimation:
- other: QSAR calculation
- Details on study design:
- Not applicable
- Preliminary study:
- Not applicable
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 2
- Value:
- >= 0.47 - <= 1
- Remarks on result:
- other: Result from QSAR prediction. Range based on the measured constituents in the streams.
- Parameter:
- calculated rating of total degradation time (QSAR/QSPR)
- Remarks:
- BIOWIN 3
- Value:
- >= 2.44 - <= 3.37
- Remarks on result:
- other: Result from QSAR prediction. Range based on the measured constituents in the streams.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 5
- Value:
- >= 0.38 - <= 0.6
- Remarks on result:
- other: Result from QSAR prediction. Range based on the measured constituents in the streams.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN 6
- Value:
- >= 0.48 - <= 0.86
- Remarks on result:
- other: Result from QSAR prediction. Range based on the measured constituents in the streams.
- Details on results:
- BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Details of the constituents and how their BIOWIN half-lives relate to their persistence assessment are found in the BIOWIN QMRF/QPRF, in the PBT report and in the Persistence Weight of Evidence Evaluation (see cross-references). - Results with reference substance:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The BIOWIN models predict a high probability of ready biodegradability for a number of measured constituents of these streams. Out of the 46 constituents of the category, and according to the criteria in the R.7b Information Requirement Guidance from ECHA, the following is concluded:
- BIOWIN 2 predicted 42 constituents biodegrade fast
- BIOWIN 3 predicted 45 constituents biodegrade fast (within weeks)
- BIOWIN 5 predicted 27 constituents biodegrade fast
- BIOWIN 6 predicted 42 constituents biodegrade fast - Executive summary:
The ready biodegradability of measured constituents of this category (at equal or above 0.1% w/w) have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). Of the 46 constituents, and according to the criteria set out in the ECHA R.7b Information Requirements Guidance, 42 (BIOWIN 2), 45 (BIOWIN 3), 27 (BIOWIN 5) and 42 (BIOWIN 6) were predicted to be readily biodegradable based on the different models, with all the constituents having at least one prediction of a high probability that it will biodegrade fast.
Reference
Model | Biodegrades fast (No. of consituents) | Does not biodegrade fast (No. of consituents) |
BIOWIN 2 | 42 | 4 |
BIOWIN 3 | 45 | 1 |
BIOWIN 5 | 27 | 19 |
BIOWIN 6 | 42 | 4 |
Description of key information
This endpoint is adapted in accordance with REACH Annex XI, Section 1.3 (QSAR). The ready biodegradability of measured constituents of this category (at equal or above 0.1% w/w) have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). Of the 46 constituents, and according to the criteria set out in the ECHA R.7b Information Requirements Guidance, 42 (BIOWIN 2), 45 (BIOWIN 3), 27 (BIOWIN 5) and 42 (BIOWIN 6) were predicted to be readily biodegradable based on the different models, with all the constituents having at least one prediction of a high probability that it will biodegrade fast.
Key value for chemical safety assessment
- Biodegradation in water:
- inherently biodegradable
Additional information
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.
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