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EC number: 904-153-2 | CAS number: -
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:
- 2009-11-20, 2007-03-16, 2007-01-26,
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.19
- Temp.:
- 20 °C
- pH:
- > 5.8 - < 6.2
- Remarks on result:
- other: Component CTF
- Type:
- log Pow
- Partition coefficient:
- -0.2
- Temp.:
- 20 °C
- pH:
- > 6.3 - < 6.8
- Remarks on result:
- other: Component DMP
- Type:
- log Pow
- Partition coefficient:
- -0.8
- Temp.:
- 20 °C
- pH:
- > 6.3 - < 6.6
- Remarks on result:
- other: Component TMP
- Details on results:
- log Pow: 0.19 for 5-ethyl-5hydroxymethyl-1,3-dioxane (CTF) CAS 5187-23-5
log Pow: -0.2 for 1,3-propanediol, 2-ethyl (DMP) CAS 2612-29-5
log Pow: -0.8 for 2-Ethyl-2-hydroxymethyl-1,3-propanediol (TMP) CAS 77-99-6 - Conclusions:
- Polyol TD
Log Pow (CTF): 0.19
Log Pow (DMP): -0.2
Log Pow (TMP): -0.8 - Executive summary:
The partition coefficient of the three main components of Polyol TD was determined by the Shake-flask method according to OECD guideline 107.
Polyol TD
Log Pow (CTF): 0.19
Log Pow (DMP): -0.2
Log Pow (TMP): -0.8
Reference
5-ethyl-5hydroxymethyl-1,3-dioxane (CTF) CAS 5187-23 -5
Flask |
Water phase |
n-octanol phase |
1:1 |
0.576 mg/ml |
0.878 mg/ml |
1:2 |
0.635 mg/ml |
0.844 mg/ml |
2:1 |
0.534 mg/ml |
0.947 mg/ml |
Results Log Pow
Flask |
Log Pow |
1:1 |
0.183 |
1:2 |
0.123 |
2:1 |
0.249 |
2-Ethyl-2-hydroxymethyl-1,3-propanediol (TMP) CAS 77-99-6 612-29-5
Flask |
Water phase |
n-octanol phase |
1:1 |
0.213 mg/ml |
0.039 mg/ml |
1:2 |
0.237 mg/ml |
0.042 mg/ml |
2:1 |
0.165 mg/ml |
0.024 mg/ml |
Results Log Pow
Flask |
Log Pow |
1:1 |
-0.74 |
1:2 |
-0.75 |
2:1 |
-0.84 |
1,3-propanediol, 2-ethyl (DMP) CAS 2612-29-5
Flask |
Water phase |
n-octanol phase |
1:1 |
0.177 mg/ml |
0.128 mg/ml |
1:2 |
0.195 mg/ml |
0.126 mg/ml |
2:1 |
0.139 mg/ml |
0.097 mg/ml |
Results Log Pow
1:1 |
-0.14 |
1:2 |
-0.19 |
2:1 |
-0.15 |
Description of key information
The partition coefficient (log Kow) for the separate main components of Polyol TD are 0.19 (CTF), -0.2 (DMP) and -0.8 (TMP) at 20 °C (Analytical Chemistry, Perstorp Holding AB, 2009).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.19
- at the temperature of:
- 20 °C
Additional information
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