Registration Dossier

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:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
1989
Report date:
1989

Materials and methods

Test guideline
Guideline:
other: not documented
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:
(E)-3-formylbut-2-enyl acetate
EC Number:
247-825-4
EC Name:
(E)-3-formylbut-2-enyl acetate
Cas Number:
26586-02-7
Molecular formula:
C7H10O3
IUPAC Name:
(2E)-3-methyl-4-oxobut-2-en-1-yl acetate
Details on test material:
- Name of test material (as cited in study report): C5-Acetat
- Analytical purity: 98.8 % (GC-analytics)

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.63
Temp.:
25 °C

Any other information on results incl. tables

No experimental values for the temperature and pH are available. The standard programm usualy calculates these values at 25°C and for the uncharged molecules. For this reason it has been assumed, because the experimental and calculated values are quite close, it can be inferred that the molecule is nearly uncharged and therefore the experimental value can regarded as sufficient valid..

Applicant's summary and conclusion