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Partition coefficient

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Reference
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:
other: guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
0.19
Temp.:
20 °C
pH:
> 5.8 - < 6.2
Type:
log Pow
Partition coefficient:
-0.2
Temp.:
20 °C
pH:
> 6.3 - < 6.8
Type:
log Pow
Partition coefficient:
-0.8
Temp.:
20 °C
pH:
> 6.3 - < 6.6
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

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

Conclusions:
Polyol TD
Log Pow (CTF): 0.19
Log Pow (DMP): -0.2
Log Pow (TMP): -0.8
Executive summary:

Polyol TD

Log Pow (CTF): 0.19

Log Pow (DMP): -0.2

Log Pow (TMP): -0.8

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