Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3,7,11-trimethyldodecyn-3-ol
EC Number:
216-510-3
EC Name:
3,7,11-trimethyldodecyn-3-ol
Cas Number:
1604-35-9
Molecular formula:
C15H28O
IUPAC Name:
3,7,11-trimethyldodec-1-yn-3-ol
Test material form:
other: liquid
Details on test material:
Name of test material (as cited in study report): 3, 7, 11-trimethyldodecyn-3-ol
Analytical purity: Approximately 98.6 % (as given by the sponsor)
Lot/batch No.: 40637247GO
Expiration date of the lot/batch: Sep 30, 2011
Storage condition of test material: ambient temperature

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5.6
Temp.:
23 °C
pH:
6.4

Any other information on results incl. tables

Individual Results

Component

tr[min]

(mean value out of two determinations)

ks

log ks

log Pow

Formamide

1.6

 

 

 

Ethylbenzoate

4.4

1.69

0.227

2.6

Toluene

5.2

2.19

0.340

2.7

Ethylbenzene

6.7

3.09

0.490

3.2

Cumene

8.5

4.15

0.618

3.7

n-Butylbenzene

13.3

7.09

0.851

4.6

Bibenzyl

11.3

5.91

0.771

4.8

DDT

26.9

15.43

1.188

6.5

Test item

18.5

10.26

1.011

5.6

Equation: log Pow = 4.1754 log ks + 1.3387

Result:

log Pow = 5.6 at T = 23 °C and pH = 6.4 (pH value of the water used for the preparation of the eluent).

Solubility in n-octanol

Additionally the solubility of the test item in n-octanol was visually tested. The test item is miscible with n-octanol at room temperature (T = 23 °C) and at T = 20.0 °C ± 0.5 °C in any ratio.

Theoretical value: log Pow = 5.21

(calculation of log Pow was done with EPIWIN (EPI Suite™ )-software, v. 4.10, Syracuse Research Corp., ©2000-2008 U.S. Environmental Protection Agency)

Applicant's summary and conclusion

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