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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
5/20/2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The information is derived from a reliable non-GLP in-house study according to OECD TG 117 (HPLC).
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
1.7
Temp.:
25 °C
Remarks on result:
other: pH is not determined and not considered critical.
Details on results:
The pH is assessed not to be critical based on the absence of acidic and basic structural features of Phen Acetald Glycerine Acetal and in its molecular structure.

The partition coefficient of Phen Acetald Glycerine Acetal has been determined as log P = 1.4 and 1.7 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method). The substance consists of 2x2 constituents (cis and trans forms of a 5 and 6 -ring). Two main peaks are identified. The trans-constituent of the 5 ring is expected to have the highest log Kow. This is based on the EpiSuite calculation that predicts the higher log Kow of the 5 -ring compared to the 6 -ring constituent (1.6 and 0.77, respectively) and; secondly because the trans-5 ring is somewhat more stable and therefore having a longer retention time (and thus higher log Kow) compared to the cis-5 -ring. It is not clear which constituent can be best related to the measuered 1.4 log Kow, it could be the cis-5 -ring or the 6 -ring (cis and/or trans). The 1.7 log Kow of the trans-5-ring is the most certain
Conclusions:
The partition coefficient of Phen Acetald Glycerine Acetal has been determined as log P = 1.7 at 25°C in a study equivalent to OECD Guideline 117 (HPLC method) in a reliable non-GLP study.
Executive summary:

The partition coefficient of Phen Acetald Glycerine Acetal has been determined as log P = 1.4 and 1.7 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method). The substance consists of 2x2 constituents (cis and trans forms of a 5 and 6 -ring). Two main peaks are identified. The trans-constituent of the 5 ring is expected to have the highest log Kow. This is based on the EpiSuite calculation that predicts the higher log Kow of the 5 -ring compared to the 6 -ring constituent (1.6 and 0.77, respectively) and; secondly because the trans-5 ring is somewhat more stable and therefore having a longer retention time (and thus higher log Kow) compared to the cis-5 -ring. It is not clear which constituent can be best related to the measuered 1.4 log Kow, it could be the cis-5 -ring or the 6 -ring (cis and/or trans). The 1.7 log Kow of the trans-5-ring is the most certain and therefore the measured log Kow of 1.7 will be used as value for the risk assessment.

Description of key information

The partition coefficient of Phen Acetald Glycerine Acetalhas been determined as log P = 1.4 and 1.7at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method).The substance consists of 2x2 constituents (cis and trans forms of a 5 and 6 -ring). Two main peaks are identified. The trans-constituent of the 5 ring is expected to have the highest log Kow. This is based on the EpiSuite calculation that predicts the higher log Kow of the 5 -ring compared to the 6 -ring constituent (1.6 and 0.77, respectively) and; secondly because the trans-5 ring is somewhat more stable and therefore having a longer retention time (and thus higher log Kow) compared to the cis-5 -ring. It is not clear which constituent can be best related to the measuered 1.4 log Kow, it could be the cis-5 -ring or the 6 -ring (cis and/or trans). The 1.7 log Kow of the trans-5-ring is the most certain and therefore the measured log Kow of 1.7 will be used as value for the risk assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.7
at the temperature of:
25 °C

Additional information