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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
other: Data obtained from a secondary source
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Principles of method if other than guideline:
details on method not stated
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
6.36
Conclusions:
A partition coefficient value of 6.36 was reported in secondary literature. The original reference was not available for review and no further information is available. The reliability of this result is not assignable.
Endpoint:
partition coefficient
Type of information:
other: Data obtained from a collection of reliable data
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
Method: other (measured): Reverse-phase HPLC with mass spectrometry
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
6.03
Conclusions:
A partition coefficient value of 6.03 was reported for the substance in a collection of reliable data.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-10-09
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods with acceptable restrictions
Remarks:
Test procedure in accordance with national standard methods (ASTM) without GLP.
Qualifier:
according to
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
Key result
Type:
log Pow
Partition coefficient:
5.5
Temp.:
25 °C
pH:
7
Remarks on result:
other: The study is assumed to have been made at normal temperature though this is not reported. The test substance is non-dissociating and would not be anticipated to influence pH, nor to be ionised during the test.

Measurement

Log Kow: 5.5

Conclusions:
A partition coefficient value of 5.5 was determined in a reliable study conducted according to an appropriate test protocol. Although not conducted according to GLP, the result is considered to be reliable.
Executive summary:

Tetradecanol was determined according ASTM E 1147. The partition coefficient was determined to be logPow 5.5.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2009-04-30
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods with acceptable restrictions
Remarks:
Test procedure in accordance with national standard methods (OECD) without GLP.
Qualifier:
according to
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
Specific details on test material used for the study:
The study was conducted on a mixture of C12 and C14 alcohols, using chromatographic method. Reported result is for the C14 alcohol.
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
6.4
Temp.:
23 °C
pH:
7.1

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 partition coefficient value of 6.4 was obtained at 23°C and at p H7.1 by valid read-across. The result is considered to be reliable.
Executive summary:

Alcohols, C12 -14 was determined according OECD Gideline 117. The partition coefficient of Tetradecanol was determined to be logPow 6.4 at 23 °C and a pH of 7.1.

Description of key information

The octanol-water partition coefficient of a commercial sample of tetradecan-1-ol is 5.5 (by HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
5.5

Additional information

A log n-octanol/water partition coefficient of 5.5 was determined for tetradecan-1-ol in accordance with ASTM E 1147. The result is considered to be reliable. The

log n-octanol/water partition coefficient of the tetradecanol constituent of a multi-constituent alcohol was determined to be 6.4 and a consistent literature value is available.

It is supported by a log Kow value of 6.03, taken from a reliable reference source for partitioning data (Burkhard et al., 1985) and is consistent with the trend across the homologous series. This value taken from literature for pure alcohol and validated across the series 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.