Registration Dossier
Registration Dossier
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EC number: 701-338-8 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Estimated by EPI Suite™, found in OECD (Q)SAR Toolbox
- GLP compliance:
- no
- Type of method:
- other: estimated by EPI Suite™
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 9.36
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: estimated
- Conclusions:
- The log Kow for the substance is estimated by EPI Suite™ to be 9.36. The value must be evaluated in light of the fact that this substance is hydrolytically unstable.
Reference
KOWWIN Program (v1.68) Results (QPRF):
===============================
Log Kow(version 1.68 estimate): 9.36
SMILES : O=C(OC(=O)C1)C1CC=CCCCCCCCCCCCCCCC
CHEM : 2,5-Furandione, dihydro-3-(2-octadecenyl)-
MOL FOR: C22 H38 O3
MOL WT : 350.55
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 1 | -CH3 [aliphatic carbon] | 0.5473 | 0.5473
Frag | 16 | -CH2- [aliphatic carbon] | 0.4911 | 7.8576
Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614
Frag | 2 | =CH- or =C< [olefinc carbon] | 0.3836 | 0.7672
Frag | 2 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -1.9010
Factor| 2 | Cyclic ester [di-carbonyl type] correction| 0.7500 | 1.5000
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 9.3615
Description of key information
9.36 (estimated)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 9.36
- at the temperature of:
- 20 °C
Additional information
The log Kow for n-octadecenyl succinic anhydride (n-ODSA) is estimated by EPI Suite™ to be 9.36. This value must be evaluated in light of the fact that this substance is hydrolytically unstable and will rapidly form a more water-soluble dioic acid.
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.
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