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Physical & Chemical properties

Partition coefficient

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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

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: migrated from IUCLID 5.6
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
Analytical method:
other: Predicted properties
Type:
log Pow
Partition coefficient:
0.58
Remarks on result:
other: The temperature and pH were not reported.

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 v1.0. Modeled Log Pow is 0.582. Therefore hexylene glycol is expected to remains in the aqueous phase when mix with an organic one.

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.