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EC number: 201-964-7 | CAS number: 90-05-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Experimental determination according to now standardized method with pure substance.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 1.36 - 1.57
- Temp.:
- 30 °C
- Remarks on result:
- other: no data on pH available
- Details on results:
- Lipophilic properties are quantatively characterized by Rm values obtained from reversed-phase TLC and by log k values obtained from reversed-phase HPLC experiments.
Rm and Log k are proportional to Log P.
After calculation of Rm and log k, a regression analysis allows to determine Rm° and log k° by extrapolation to a 0% methanol concentration.
Results of measurements obtained were :
Rm° = 1.25 (s.d.=0.09)
Log k° = 1.02 (s.d.=0.05)
This allows to calculate Log P according to the regression equations obtained from the other compounds :
Log P = (Rm° + 0.2426)/1.0988 = 1.36
Log P = (Log k° + 0.3112)/0.8478 = 1.57
Reference
No information on pH
Description of key information
The range of log Kow was from 1.32 to 2.53.
Guaiacol has a low potential of bioaccumulation.
Key value for chemical safety assessment
- at the temperature of:
- 20 °C
Additional information
Nine publications report logKow values on guaiacol. These range from 1.32 to 2.53.
One of them was chosen as a key study (Butte et al., 1982), since performed according to the OECD guideline 117 (HPLC method), with a range of results from 1.36 to 1.57 at 30°C.
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