Registration Dossier
Registration Dossier
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EC number: 209-754-7 | CAS number: 592-42-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- EPI Suite (v4.10); Hansch et al., 1995
- Adequacy of study:
- weight of evidence
- Study period:
- 1/1/2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE
: EPI Suite
2. MODEL (incl. version number) : v4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : C(=C)CCC=C - Qualifier:
- according to guideline
- Guideline:
- other: ECHA 'Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, Version 6.0, July 2017
- Qualifier:
- according to guideline
- Guideline:
- other: Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SMILES: C(=C)CCC=C
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.02
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- KOWWIN predicted that hexa-1,5-diene has a log Kow = 3.02
- Executive summary:
KOWWIN predicted that hexa-1,5-diene has a log Kow = 3.02
Reference
KOWWIN predicted that hexa-1,5-diene has a log Kow = 3.02
Description of key information
KOWWIN predicted that hexa-1,5-diene has a log Kow = 3.02
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 302
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.
