Registration Dossier
Registration Dossier
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EC number: 203-489-0 | CAS number: 107-41-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The predicted property was obtained using the ACD/I-Lab service ACD/LogP v8.02.
- GLP compliance:
- no
- Type of method:
- other: Predicted properties
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: predicted property
- Type:
- log Pow
- Partition coefficient:
- 0
- Remarks on result:
- other: the temperature and pH were not reported
- Conclusions:
- Hexylene glycol is not expected to bioaccumulate in lipidic phases.
- Executive summary:
Partition coefficient for hexylene glycol has been predicted according to ACD/LogP v8.02. Modeled Log Pow is 0. Therefore hexylene glycol is expected to remains in the aqueous phase when mix with an organic one.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Justification for type of information:
- QSAR prediction
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The predicted property was obtained using the Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00.
- GLP compliance:
- no
- Type of method:
- other: Predicted properties
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- OC(CC(O)(C)C)C
- Analytical method:
- other: Predicted properties
- Type:
- log Pow
- Partition coefficient:
- 0.58
- Remarks on result:
- other: The temperature and pH were not reported.
- Conclusions:
- Hexylene glycol is not expected to bioaccumulate in lipidic phases.
- Executive summary:
Partition coefficient for hexylene glycol has been predicted according to KowWin v1.68. Modeled Log Pow is 0.582. Therefore hexylene glycol is expected to remains in the aqueous phase when mix with an organic one.
Referenceopen allclose all
The temperature and pH were not reported.
The temperature and pH were not reported.
Description of key information
The partition coefficient of hexylene glycol is considered to be equal to 0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0
- at the temperature of:
- 20 °C
Additional information
The estimated partition coefficient of hexylene glycol was assessed in a weight of evidence approach using different modeling data (ACD lab and EpiSuite). Those estimated results are on line with the ones obtained from the literature (Hansch and Leo, 1985) and indicate that partition coefficient can be considered equal to 0. Therefore bioaccumulation potential for hexylene glycol is expected to be negligible.
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