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Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1988
Report date:
1988

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Principles of method if other than guideline:
Method: other (measured)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-ethylhex-2-enal
EC Number:
211-448-3
EC Name:
2-ethylhex-2-enal
Cas Number:
645-62-5
Molecular formula:
C8H14O
IUPAC Name:
2-ethylhex-2-enal
Details on test material:
- Name of test material (as cited in study report): 2-Ethylhexen-2-al
- Analytical purity: pure

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.61
Temp.:
25 °C
Remarks on result:
other: The study was performed without adjustment of the pH value.

Any other information on results incl. tables

RS-Freetext:
1. Initial weight:
==================

20.9051 g octanol-1 (saturated with water)
0.1827 g 2-ethylhex-2-enal (EHA)
24.8329 g dist. water (saturated with octanol-1)

concentration of EHA in the water phase c / (mg/l): 20.1
(mean value of two replicates)

concentration of EHA in the octanol phase c / (g/l): 7.288
(calculated)

c (EHA in the octanol phase) 7.288 g/l
P(OW) = ---------------------------- = --------- = 363
c (EHA in the water phase) 20.1 mg/l


2. Initial weight:
==================

20.9118 g octanol-1 (saturated with water)
0.2787 g 2-ethylhex-2-enal (EHA)
24.8689 g dist. water (saturated with octanol-1)

concentration of EHA in the water phase c / (mg/l): 26.9
(mean value of two replicates, standard deviation: 0.8)

concentration of EHA in the octanol phase c / (g/l): 11.121
(calculated)

P(OW) = 413


3. Initial weight:
==================

20.9288 g octanol-1 (saturated with water)
0.3575 g 2-ethylhex-2-enal (EHA)
24.8248 g dist. water (saturated with octanol-1)

concentration of EHA in the water phase c / (mg/l): 31.8
(mean value of three replicates, standard deviation: 0.3)

concentration of EHA in the octanol phase c / (g/l): 14.268
(calculated)

P(OW) = 449


Summary of results:
===================

P(OW) log P(OW)

1. Initial weight 363 2.56
2. Initial weight 413 2.62
3. Initial weight 449 2.65

mean value 408 2.61
standard deviation 43

Applicant's summary and conclusion