Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 288-284-4 | CAS number: 85711-26-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009/05/05
- 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
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.9
- Temp.:
- 25 °C
- pH:
- ca. 6
- Conclusions:
- log Pow of undecan-1-ol: 4.9 at 25 °C
- Executive summary:
The log Pow of undecan-1 -ol was determined according to OECD 117.
The log Pow versus log K values of the reference substances (Thymol, Naphthalene, Benzyl benzoate, Bibenzyl, 1 -Dodecanol and Tetradecanol) was plotted (R² = 0.9862). The resulting equation was used to calculate the log Pow of the test substance: log Pow of undecan-1-ol: 4.9 at 25 °C.
Reference
Measurement
Sample name Conc. of sample: 30495.02
Solution (mg/ml): 9.4
RT(1): 8.71
K (estimated): 2.3
logK: 0.360
log Pow (4): 4.9
Description of key information
The octanol-water partition coefficient of undecan-1-ol (log Kow) is 4.9.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.9
- at the temperature of:
- 20 °C
Additional information
The log partition coefficient of 4.9 was determined in a reliable study.
It is supported by a value of 4.72, taken from a reference source of non assignable reliability. Although the value is of non-assignable reliability in its own right, the result value is supported by the strong correlation in log Kow values across the C6 -24 alcohols Category (refer to the physicochemical Category Report). Using QSAR derived for the Category members, the predicted value of log Kow for undecan-1-ol is 4.73.
The value of 4.72, 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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
