Registration Dossier
Registration Dossier
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EC number: 268-581-5 | CAS number: 68130-24-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE
KOWWIN v1.68
2. MODEL (incl. version number) V1.68
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Log Kow
- Year:
- 2 018
- Bibliographic source:
- EPIWIN
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Principle of test:
QSAR
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] octanoate pentanoate
- EC Number:
- 268-581-5
- EC Name:
- Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] octanoate pentanoate
- Cas Number:
- 68130-24-5
- Molecular formula:
- C10-H22-O7.x-C10-H20-O2.x-C8-H16-O2.x-C5-H10-O2
- IUPAC Name:
- Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] octanoate pentanoate
- Test material form:
- liquid
- Details on test material:
- - Moisture content:<= 0.05 %
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 3.58
- Temp.:
- 25 °C
- pH:
- ca. 7
- Details on results:
- KOWWIN v1.68
Applicant's summary and conclusion
- Conclusions:
- Log Kow (KOWWIN v1.68 estimate) = 3.58
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