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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009-04-07
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
TMPDE
- Name of test material (as cited in study report): 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, diallyl ether (TMPDE)
- Substance type: organic
- Physical state: liquid
- Analytical purity: 81% GC-purity
- Composition of test material, percentage of components: 80.8% Trimethylolpropane diallylether (TMPDE), 13.5 % Trimethylolpropane monoallylether (TMPME), 5.1 % Trimethylolpropane triallylether (TMPTE)
- Lot/batch No.: 365 1011
- Stability under test conditions: good
- Storage condition of test material: room temperature

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3
Temp.:
20 °C

Any other information on results incl. tables

 

Substance

t0

Formamide

2.16

 

Substance

Cas-no

log Pow

tR

Benzyl alcohol

100-51-6

1.05

2.553

p-Cresol

106-44-5

1.97

2.819

Diphenyl

92-52-4

3.98

9.490

Phenantrene

85-01-8

4.52

13.283

Dibenzyl

103-29-7

4.79

15.644

Fluoranthene

106-44-0

5.20

19.040

 

A linear regression coefficient was calculated using these references and the retention times of their peaks.

 

intercept

2.933

slope

2.333

corr. coeff.

0.994

 

The Log Powof the tested substance was calculated from this. Duplicate determinations were made.

Results:

 

tR

log Pow

Injection 1

4.498

3.01

Injection 2

4.493

3.01

 

Applicant's summary and conclusion

Conclusions:
Log Pow: 3.0, n-Octanol/Water
Executive summary:

Log Pow: 3.0