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EC number: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data are being assessed for the use in a category approach. Available information are being judged as reliable with restrictions since it was conducted by a modeled and measured data.
- Remarks:
- Data are being assessed for the use in a category approach. Available information are being judged as reliable with restrictions since it was conducted by a modeled and measured data.
- Justification for type of information:
- Modeled and measured data
Important considerations for the read-across were:
Sodium Olivoyl Glutamate (the target chemical) has similar physico-chemical properties as the others members:
- "Aliphatic acid category" (the source chemicals);
- "Amino acid alkyl amides category" (the source chemicals);
- Sodium oleoyl glutamate (the source chemicals);
Key points are that the members share:
- the same structural features
- similar metabolic pathways
- common levels and mode of human health related effects
- function. - Qualifier:
- no guideline available
- GLP compliance:
- no
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3
- Conclusions:
- The partition coefficient is:
- C18 4.13
- C18:1 3.92
- C18:2 3.70 (modeled) - Executive summary:
The partition coefficient is > 3.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
QSAR prediction
1. SOFTWARE
Danish (Q)SAR Database
2. MODEL
http://qsardb.food.dtu.dk/db/index.html
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(=O)(O)C(CCC(=O)O)NC(=O)CCCCCCCC=CCCCCCCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
http://qsardb.food.dtu.dk/db/index.html
5. APPLICABILITY DOMAIN
http://qsardb.food.dtu.dk/Danish_QSAR_Database_Draft_User_manual.pdf
6. ADEQUACY OF THE RESULT
Prediction fits the purpose of REACH Regulation.- Guideline:
- other: REACH guidance on QSARs R6, May 2008
- GLP compliance:
- no
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 6.2
- Remarks on result:
- other: Qsar Prediction
- Remarks:
- Qsar Prediction
- Conclusions:
- The partition coefficient is 6.2.
- Executive summary:
The partition coefficient is 6.2.
- Endpoint:
- partition coefficient
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Important considerations for the read-across were:
Sodium Olivoyl Glutamate (the target chemical) has similar physico-chemical properties as the others members:
- "Aliphatic acid category" (the source chemicals);
- "Amino acid alkyl amides category" (the source chemicals);
- Sodium oleoyl glutamate (the source chemicals);
Key points are that the members share:
- the same structural features
- similar metabolic pathways
- common levels and mode of human health related effects
- function. - Key result
- Remarks on result:
- not measured/tested
- Conclusions:
- Overall, considering available data on the category members the partition coefficient of the substance is > 3.
- Executive summary:
The partition coefficient of the substance is > 3.
Referenceopen allclose all
Description of key information
A collection of the partition coefficients was performed.
The partition coefficient of the substance is > 3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4
Additional information
Overall, considering available data on the category members the partition coefficient of the substance is > 3.
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