Dodecan-1-ol

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Principles of method if other than guideline:

No details are available on the guideline used to determine this result.

GLP compliance:

not specified

Partition coefficient type:

octanol-water

Type:

log Pow

Partition coefficient:

5.36

Conclusions:

A log Kow value of 5.36 was reported for the substance.

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Value obtained from a recognised source of physico-chemical data. This reference is considered as definitive for octanol-water partition coefficient values.

Principles of method if other than guideline:

No details are available on the guideline used to determine this result.

GLP compliance:

not specified

Partition coefficient type:

octanol-water

Type:

log Pow

Partition coefficient:

5.13

Remarks on result:

other: The pH at which the log Kow was measured is not stated, but it is consistent with expected properties of the substance in its non-ionised state. The temperature is not stated.

Conclusions:

A partition coefficient (log Kow) value of 5.13 was reported in a collection of reliable data which has been subject to peer-review . The result is considered to be reliable.

Reference 3

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009-04-30

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Test procedure in accordance with national standard methods (OECD) without GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

5.4

Temp.:

23 °C

pH:

7.1

Remarks on result:

other: Result for the dodecan-1-ol constituent of this multi-constituent test substance.

Calibration

For calibration 20 -30 mg of the reference samples and of thio urea (dead time determination) are weighed into a 100 ml volumetric flask and filled up to 100 ml of a methanol-water mixture (80:20). This calibration mixture (L090443) is then analysed by the reported chromatographic conditions.

substances	log Pow	retention time (min.)	capacity factor k	log k
phenylbenzoate	3.6	2.13	0.593	-0.23
diphenyl ether	4.2	2.63	0.964	-0.02
dibenzyl	4.8	3.90	1.913	0.28
flouranthene	5.1	4.86	2.633	0.42
triphenylamine	5.7	6.07	3.538	0.55

correlation log k and Pow

slope: 2.52

axis intercept: 4.17

correlation coefficient: 0.991

Measurement

200 -300 mg of the test sample are weighed into a 100 ml volumetric flask and filled up to 100 ml with methanol.

retention time (minutes) for C12: 5.61

peak area for C12: 222137

capacity factor for C12: 3.19

log k for C12: 0.50

log POW for C12: 5.4

retention time (minutes) for C14: 11.56

peak area for C14: 80213

capacity factor k for C14: 7.64

log k for C14: 0.88

log POW for C14: 6.4

Conclusions:

A log Kow value of 5.4 at 23°C and pH 7.1 was obtained for the substance using a relevant test method. The result is considered to be reliable.

Executive summary:

Alcohols, C12 -14 was determined according OECD Guideline 117. The partition coefficient of Dodecan-1 -ol was determined to be log Pow 5.4 at 23 °C and a pH of 7.1.

Reference 4

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

2010-10-09

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Test procedure in accordance with national standard methods (ASTM) without GLP.

Qualifier:

according to guideline

Guideline:

other: ASTM E 1147

Deviations:

no

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

4.8

Measurement

Log Pow: 4.8

Conclusions:

A log Kow value of 4.8 was obtained for the substance using a relevant test method. The result is considered reliable.

Executive summary:

Dodecan-1 -ol was determined according ASTM E 1147. The partition coefficient was determined to be log Pow 4.8.

Description of key information

The octanol-water partition coefficient of a commercial dodecan-1-ol product is 5.4 (by HPLC method).

Key value for chemical safety assessment

Log Kow (Log Pow):

5.4

at the temperature of:

23 °C

Additional information

The log octanol/water partition coefficient of 5.4 at 23°C and pH 7.1 was determined for the dodecan-1 -ol constituent in a study with Alcohols C12 -14 in accordance with OECD 117. The result is considered to be reliable.

It is supported by a reliable value of 5.13, believed to have been determined in a shake-flask test (Hansch et al, 1995); a reliable value of 5.36, taken from a reliable reference source for partitioning data (Burkhard, 1985, by HPLC). A value of 4.8 is available from a second reliable study.

The value taken from literature for pure alcohol is used in exposure modelling.

 

Discussion of trends in the Category of C6-24 linear and essentially-linear aliphatic alcohols:

As chain length increases, the free energy required for a molecule to dissolve becomes less favourable for larger molecules. The octanol-water partition coefficient increases with molecular weight because each additional -CH2- group makes the octanol phase more preferred over water in terms of relative solvation energy.