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EC number: 204-000-3 | CAS number: 112-72-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- 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.
- 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
- 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
- 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.
Referenceopen allclose all
Measurement
Log Kow: 5.5
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
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.
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