Registration Dossier
Registration Dossier
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EC number: 201-063-9 | CAS number: 77-85-0
Toxicological information
Endpoint summary
Administrative data
Description of key information
Skin and eye irritation potential.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- 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:
- 1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across is an analogue approach based on the hypothesis that the Source substance (Trimethylolpropane (TMP)) and Target substance (Trimethylolethane (TME)) will have similar toxicological and ecotoxicological properties due to their close structural and physicochemical similarities.
The Source substance (which is registered at Annex X) has a comprehensive data set covering the REACH Annex VIII registration band at which the Target substance is being registered. The availability of this data set, along with the Source substances similarity to the Target substance, are considered sufficient for the read-across to be an appropriate adaptation to the standard information requirements of Annex VIII of the REACH regulation for the Target substance in accordance with the provisions of Annex XI, 1.5 of the REACH regulation.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The Source substance is very pure (>99.6% w/w) while the technical grade of the Target substance as placed on the EU market contains two impurities; bis-TME (Cas No 63603-72-5) and Di-TME (Cas No 34541-79-2). The concentration of these impurities varies between batches and each impurity can be present at up to 4% w/w per batch.
The impurities in the Target substance are considered not to have any impact on toxicological or physico-chemical profile versus the main component. This is discussed further in the Read-Across Assessment Framework Report.
3. ANALOGUE APPROACH JUSTIFICATION
The Source and Target substances both contain the same 1,1,1-trimetholethyl group unit with the only structural difference being the presence of a methyl group (CH3-) for TMP instead of hydrogen (H-) for TME. Both the Source and Target substances have similar molecular weights of 134.17 and 120.15 respectively.
The physicochemical test results between the Source and Target substance are almost identical although water and logPow values are different as is the melting/freezing point. This divergence is not considered to have any significance to the read-across and is discussed further in the Read-Across Framework Report.
Because the structural and physicochemical profiles of the Source and Target substances are so similar, a read-across between the two substances is considered valid, as they are both expected to have similar toxicological and ecotoxicological profiles.
Further discussion of the similarities between the Source and Target substances is discussed in the Read-Across Assessment Framework Report.
4. DATA MATRIX
See Read-Across Assessment Framework Report - Reason / purpose for cross-reference:
- read-across source
- Irritation parameter:
- erythema score
- Basis:
- mean
- Time point:
- other: 0 h, 2 and 7 d
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: score = 0 at any time point
- Irritation parameter:
- edema score
- Basis:
- mean
- Time point:
- other: 0 h, 2 and 7d
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: score = 0 at any time point
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- 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:
- 1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across is an analogue approach based on the hypothesis that the Source substance (Trimethylolpropane (TMP)) and Target substance (Trimethylolethane (TME)) will have similar toxicological and ecotoxicological properties due to their close structural and physicochemical similarities.
The Source substance (which is registered at Annex X) has a comprehensive data set covering the REACH Annex VIII registration band at which the Target substance is being registered. The availability of this data set, along with the Source substances similarity to the Target substance, are considered sufficient for the read-across to be an appropriate adaptation to the standard information requirements of Annex VIII of the REACH regulation for the Target substance in accordance with the provisions of Annex XI, 1.5 of the REACH regulation.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The Source substance is very pure (>99.6% w/w) while the technical grade of the Target substance as placed on the EU market contains two impurities; bis-TME (Cas No 63603-72-5) and Di-TME (Cas No 34541-79-2). The concentration of these impurities varies between batches and each impurity can be present at up to 4% w/w per batch.
The impurities in the Target substance are considered not to have any impact on toxicological or physico-chemical profile versus the main component. This is discussed further in the Read-Across Assessment Framework Report.
3. ANALOGUE APPROACH JUSTIFICATION
The Source and Target substances both contain the same 1,1,1-trimetholethyl group unit with the only structural difference being the presence of a methyl group (CH3-) for TMP instead of hydrogen (H-) for TME. Both the Source and Target substances have similar molecular weights of 134.17 and 120.15 respectively.
The physicochemical test results between the Source and Target substance are almost identical although water and logPow values are different as is the melting/freezing point. This divergence is not considered to have any significance to the read-across and is discussed further in the Read-Across Framework Report.
Because the structural and physicochemical profiles of the Source and Target substances are so similar, a read-across between the two substances is considered valid, as they are both expected to have similar toxicological and ecotoxicological profiles.
Further discussion of the similarities between the Source and Target substances is discussed in the Read-Across Assessment Framework Report.
4. DATA MATRIX
See Read-Across Assessment Framework Report - Reason / purpose for cross-reference:
- read-across source
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 0 h
- Score:
- >= 0 - <= 1
- Reversibility:
- fully reversible within: 24 h
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 1, 2 and 7 d
- Score:
- 0
- Reversibility:
- other: score = 0 at any time point
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Additional information
Justification for classification or non-classification
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.
