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EC number: 202-935-1 | CAS number: 101-34-8
- 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
Endpoint summary
Administrative data
Description of key information
Key studies were performed according to internationally recognised testing guidelines prior to the adoption of the OECD Principles of GLP in 1992.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Remarks:
- This study dates from 1981 and was conducted in a jurisdiction where toxicity testing on cosmetic ingredients was legally required to be conducted on vertebrate animals.
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1981
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Justification for type of information:
- This study dates from 1981 and was conducted in a jurisdiction where toxicity testing on cosmetic ingredients was legally required to be conducted on vertebrate animals.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPP 81-5 (Acute Dermal Irritation)
- Deviations:
- not specified
- GLP compliance:
- no
- Remarks:
- The study was conducted in the USA in 1981, before the adoption of the OECD Principles of GLP in 1992.
- Species:
- rabbit
- Strain:
- New Zealand White
- Type of coverage:
- occlusive
- Preparation of test site:
- other: two test sites per animal. Skin on one test site was abraded, and was left intact on the other test site.
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.5 ml
- Duration of treatment / exposure:
- 24 hours
- Observation period:
- 72 hours
- Number of animals:
- 6
- Details on study design:
- Six (6) New Zealand white rabbits each received a single dermal application of 0.5 milliliter of the test article on two test sites, one abraded and one intact. The test sites were occluded for 24 hours and were observed individually for erythema, edema, and other effects 24 and 72 hours after application. Mean scores from the 24 and 72 hour. readings were averaged to determine the primary irritation index. The test article was used as received.
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.48
- Reversibility:
- fully reversible within: 72 hours
- Irritant / corrosive response data:
- This test article is not a primary dermal irritant to rabbits under conditions of this test.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The primary dermal irritation index score was determined to be 1.48 after 72 hours under the conditions of the test.
- Executive summary:
In this guideline equivalent study ( EPA OPP 81 -5) and prior to the adoption of OECD principles of GLP, the test material (EC 205-363-0) induced a primary dermal irritation score of 1.48. The study was conducted in 6 New Zealand White rabbits across the 24, 48, & 72 hour observation periods. The test material was exposed to the test animals (intact skin and abbraded skin, 24 hours) under occlusive conditions. The result of the test is not sufficient to meet the criteria for classification as a skin irritant under the criteria of the EU Classification, Labelling, and Packaging (CLP) regulation (1272/2008).
- Endpoint:
- skin irritation: in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
[Please provide information for all of the points below. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The following chemical groups are identical between the source and target substances:
At the central core of both substances are three ester groups. Connected to each ester group is a 17-carbon straight-chain with a methyl ester group at carbon-11 on each side chain.
The only structural difference between the source and target substances, is that on the target substance there is an unsaturated C=C at carbon position 8-9 of each side chain, whilst all of the carbons are saturated on the source substance.
Comparing the structures of the main constituents of the target substance (Figure 2) and the source substance (Figure 1), we note that both main constituents are composed of the same chemical groups (Acetyl and Ester groups). The only difference between the source and the target main constituents is the presence of the C=C double bonds, one in each chain, in the target substance.
Consequently, the overall molecular weight of the target substance is 1059.5403 which is 6.0476 units (6 H) more than the source substance which is 1065.5879.
The overall elemental composition of the 2 substances are also very similar, with the percent Carbon between 71.0-71.4%, the percent Hydrogen between 10.5-11.0% and the percent Oxygen between 18.0-18.1%.
Neither the source or target substance main constituents contain any hydrogen donor or hydrogen acceptor sites.
Predicted dermal absorption of both the source and target substance is of the 0.1 mg/kg day magnitude (appendix 1).
These similarities mean that the physical chemical properties are also very similar, in particular:
• Both are water insoluble (<1.5 µg/mL)
• Both are liquids at room temperature with complete glass transition points <-50°C and decompose before boiling (>250 °C).
• Both have a relative density of 0.955 – 0.97 g/cm3
• Both have high partition coefficients (Log KoW) of >7.2 at 35 °C pH 7
The molecular weight, number of hydrogen bond donors, number of hydrogen bond acceptors, water solubility, and partition coefficient values for both substances indicate they will have similar bioavailability.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
All identified impurities are considered to be structurally similar to the source and target substances due to the following factors:
• The impurities contain only same chemical groups as the source and target substances,
• The chemical groups in the impurities are bonded together in the same way as the source and target substances,
• The impurities have similar molecular weights as the source and target substances,
• The number of hydrogen donors and acceptors is similar to the source and target substances.
Due to the chemical nature of the identified impurities, and the structural similarity to the source and target substances, it is considered that the impurities will behave in the same way as the source and target substances. The identified impurities are therefore highly unlikely to have any impact upon the reliability or accuracy of the prediction.
3. ANALOGUE APPROACH JUSTIFICATION
SKIN IRRITATION POTENTIAL IN SOURCE SUBSTANCE
The source substance was subject to an equivalent EPA OPP 81-5 (acute dermal irritation) study in the rabbit. The source substance induced a PDII of 1.48 under the conditions of the test.
SOURCE SUBSTANCE SKIN IRRITATION POTENTIAL SUMMARY
The test was conducted in 6 New Zealand white rabbits (sex not specified) at a test dose of 0.5 ml (unchanged) applied to two test sites on the flank of each animal. The treatment was applied for 24 hours to an intact test site and an abraded test site on each animal. Following treatment the animals were observed for 48 hours (total observation time 72 hours). Animals were observed for erythema, oedema, and other reactions. Reactions were scored using the Draize method.
The source substance induced a PDII of 1.48, and was considered not to be a primary dermal irritant in the rabbit under the conditions of the test.
RATIONALISATION OF HYPOTHESIS WITH SKIN IRRITATION POTENTIAL SEEN IN SOURCE SUBSTANCE
The source substance has a very low estimated Kp and DAD (see appendix 1) and is unlikely to permeate the skin in biologically significant quantities. The source substance has a molecular weight higher than 500, has a low water solubility, and high partition coefficient. The substance is therefore considered to be likely to coat the skin, rather than permeating it.
The hypothesis is proven by the results of the source substance, which induced a PDII of 1.48, and therefore could not be considered a skin irritant.
PREDICTED SKIN IRRITATION IN TARGET SUBSTANCE
The target substance has a very low estimated Kp and DAD (see appendix 1), of the same order of magnitude as the source substance. The molecular weight, water solubility and partition coefficient of the target substance are also almost identical to the source substance.
The target substance is therefore predicted to fail to induce sufficient skin irritation in the EPA OPP 81-5 (or similar) tests to be considered a skin irritant, and by extension, be considered to fulfil the criteria for skin irritation/corrosion under the Classification, Labelling, and Packaging (CLP) regulation (1272/2008).
4. DATA MATRIX
See appended document - Reason / purpose for cross-reference:
- read-across source
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.48
- Reversibility:
- fully reversible within: 72 h
- Remarks on result:
- other: Based upon read across substance
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The registered substance was determined not to be a skin irritant using the read-across approach to an analogous substance.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Remarks:
- This study dates from 1981 and was conducted in a jurisdiction where toxicity testing on cosmetic ingredients was legally required to be conducted on vertebrate animals.
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1981
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Justification for type of information:
- This study dates from 1981 and was conducted in a jurisdiction where toxicity testing on cosmetic ingredients was legally required to be conducted on vertebrate animals.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPP 81-4 (Acute Eye Irritation)
- Deviations:
- not specified
- GLP compliance:
- no
- Remarks:
- The study was conducted in the USA in 1981, before the adoption of the OECD Principles of GLP in 1992.
- Species:
- rabbit
- Strain:
- New Zealand White
- Vehicle:
- unchanged (no vehicle)
- Controls:
- yes, concurrent no treatment
- Amount / concentration applied:
- 0.1 ml
- Duration of treatment / exposure:
- 24 hours
- Observation period (in vivo):
- 7 days
- Details on study design:
- Six (6) New Zealand white rabbits, free from visible ocular defects, each received a single intraocular application of 0.1 milliliter of the test article in one eye. The contralateral eye, remaining untreated, served as a control. The eyes of all animals remained unwashed for 24 hours. Observations of corneal opacity, iritis, and conjunctivitis were recorded 20, 48, and 72 hours after treatment, and at 4 and 7 days if irritation persisted. The test article was used as received.
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24 h
- Score:
- 0.3
- Reversibility:
- fully reversible within: 48 hours
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 48 h
- Score:
- 0
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Score:
- 0
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The test material is not an ocular irritant to rabits under the conditions of the test.
- Executive summary:
In this guideline equivalent study (EPA OPP 81 -4), conducted prior to the adoption of the OECD principles of GLP in 1992, the test material (EC 205-363-0) was not considered an ocular irritant to the rabbit. Six New Zealand White rabbits were treated with 0.1ml of the unchanged substance in one eye, the contralateral eye served as a control. Rabbits were observed for corneal opacity, iritis, and conjunctivitis at 24, 48, and 72 hours after treatment, and again 4 day and 7 days after treatment. Results were scored accoring to the Draize criteria. The test material induced a mean overal irritation score of 0.3 at 24 hours, this was fully reversible at the 48 hour observation.
- Endpoint:
- eye irritation: in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The following chemical groups are identical between the source and target substances:
At the central core of both substances are three ester groups:
Connected to each ester group is a 17-carbon straight-chain with a methyl ester group at carbon-11 on each side chain.
The only structural difference between the source and target substances, is that on the target substance there is an unsaturated C=C at carbon position 8-9 of each side chain, whilst all of the carbons are saturated on the source substance.
Comparing the structures of the main constituents of the target substance (Figure 2) and the source substance (Figure 1), we note that both main constituents are composed of the same chemical groups (Acetyl and Ester groups). The only difference between the source and the target main constituents is the presence of the C=C double bonds, one in each chain, in the target substance.
Consequently, the overall molecular weight of the target substance is 1059.5403 which is 6.0476 units (6 H) more than the source substance which is 1065.5879.
The overall elemental composition of the 2 substances are also very similar, with the percent Carbon between 71.0-71.4%, the percent Hydrogen between 10.5-11.0% and the percent Oxygen between 18.0-18.1%.
Neither the source or target substance main constituents contain any hydrogen donor or hydrogen acceptor sites.
Predicted dermal absorption of both the source and target substance is of the 0.1 mg/kg day magnitude (appendix 1).
These similarities mean that the physical chemical properties are also very similar, in particular:
• Both are water insoluble (<1.5 µg/mL)
• Both are liquids at room temperature with complete glass transition points <-50°C and decompose before boiling (>250 °C).
• Both have a relative density of 0.955 – 0.97 g/cm3
• Both have high partition coefficients (Log KoW) of >7.2 at 35 °C pH 7
The molecular weight, number of hydrogen bond donors, number of hydrogen bond acceptors, water solubility, and partition coefficient values for both substances indicate they will have similar bioavailability.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
All identified impurities are considered to be structurally similar to the source and target substances due to the following factors:
• The impurities contain only same chemical groups as the source and target substances,
• The chemical groups in the impurities are bonded together in the same way as the source and target substances,
• The impurities have similar molecular weights as the source and target substances,
• The number of hydrogen donors and acceptors is similar to the source and target substances.
Due to the chemical nature of the identified impurities, and the structural similarity to the source and target substances, it is considered that the impurities will behave in the same way as the source and target substances. The identified impurities are therefore highly unlikely to have any impact upon the reliability or accuracy of the prediction.
3. ANALOGUE APPROACH JUSTIFICATION
EYE IRRITATION POTENTIAL IN SOURCE SUBSTANCE
The source substance was subject to an equivalent EPA OPP 81-4 (acute eye irritation) study in the rabbit. The source substance induced a overall irritation score of 0.3 at 24 hours, which was completely reversible by the 48 hour observation.
SOURCE SUBSTANCE EYE IRRITATION POTENTIAL SUMMARY
The test was conducted in 6 New Zealand white rabbits (sex not specified) at a test dose of 0.1 ml (unchanged) applied to a single eye of each animal. The untreated eye served as a control for the test. The treated eye was left unwashed for 24 hours. Following treatment the animals were observed for 6 days (total observation time 7 days). Animals were observed for iritis, conjunctivitis, and corneal opacity at 24, 48, 72 hours and at 4 and 7 days. Reactions were scored using the Draize method.
The source substance induced an overall irritation score of 0.3 at 24 hours which was completely reversible by the 48 hour observation period.
RATIONALISATION OF HYPOTHESIS WITH EYE IRRITATION POTENTIAL SEEN IN SOURCE SUBSTANCE
The source substance has a very low water solubility, high partition coefficient, and a liquid physical form. The substance is therefore considered to be likely to be removed from the eye by lacrimation (tearing) before significant irritation can take place.
The hypothesis is proven by the results of the source substance, which induced an overall irritation score of 0.33 at 24 hours which was completely reversible at the 48 hour observation period, and therefore could not be considered an eye irritant.
PREDICTED EYE IRRITATION IN TARGET SUBSTANCE
The target substance has almost identical water solubility, partition coefficient, and physical properties to the source substance.
The target substance is therefore predicted to fail to induce sufficient eye irritation in the EPA OPP 81-4 (or similar) tests to be considered an eye irritant, and by extension, be considered to fulfil the criteria for eye irritation/corrosion under the Classification, Labelling, and Packaging (CLP) regulation (1272/2008).
4. DATA MATRIX
See document appended - Reason / purpose for cross-reference:
- read-across source
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24 h
- Score:
- 0.3
- Reversibility:
- fully reversible within: 48 h
- Remarks on result:
- other: Based upon read across substance
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 48 h
- Score:
- 0
- Remarks on result:
- other: Based upon read across substance
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Score:
- 0
- Remarks on result:
- other: Based upon read across substance
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The registered substance was determined not to be an eye irritant using the read across approach to an analogous substance.
Referenceopen allclose all
Group | Draize scores | ||||
24 h | 48 h | 72 h | 4 d | 7 d | |
Unwashed | 0.3 | 0 | 0 | - | - |
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for classification or non-classification
The registered substance failed to induce sufficient skin or eye irritation to meet the criteria for classification as a skin or eye irritant in accordance with the Classification, Labelling, and Packaging (CLP) regulation (1272/2008).
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.