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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Study period:
April-June 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
This IUCLID for dimethyl adipate is compiled using data from the substance itself, a structurally related compound (dimethyl glutarate) and a mixture of dibasic esters (dimethyl adipate, succinate and glutarate). The phys-chem properties of each of these substances are rather similar and the document attached justifies why data on the category members can be used to support the data gaps for dimethyl adipate.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
1.4
Temp.:
22 °C
pH:
6.9
Conclusions:
The log Pow for dimethyl adipate is 1.4.
Executive summary:

During this study the partition coefficient (n-octanol / water) of Reaction mass of Dimethyl adipate (CAS 627-93-0), Dimethyl glutarate (CAS 1119-40-0) and Dimethyl succinate (CAS 106-65-0) was determined using the HPLC- method as described in EEC Directive 92/69, A.8 “Partition Coefficient” (2008), the Council Regulation (EC) No. 440/2008, A.8 and in the OECD Guideline No. 117, “Partition Coefficient (n-Octanol / Water), High Performance Liquid Chromatography (HPLC) method” (2004).

Six common standards, which have known log POW values were used as reference standards. For the determination of the dead time a thiourea solution was used. From the regression curve (log k' vs. log POW) the n-octanol / water partition coefficient (log POW) of Reaction mass of Dimethyl adipate (CAS 627-93-0), Dimethyl glutarate (CAS 1119-40-0) and Dimethyl succinate (CAS 106-65-0) at 22 °C was calculated to be

log Pow = 1.4 for Dimethyl adipate (CAS 627-93-0)

log Pow = 0.6 for Dimethyl succinate (CAS 106-65-0)

log Pow = 1.0 for Dimethyl glutarate (CAS 1119-40-0)

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed reference book.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
1.03
Temp.:
25 °C
Remarks on result:
other: The pH was neutral (6 - 8) and for a non ionizable substance such as this one, this parameter is not critical.

Description of key information

The partition coefficient between octanol and water is 1.4.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.4
at the temperature of:
22 °C

Additional information