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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
other: experimental result and calculation
Adequacy of study:
key study
Study period:
Commenced on 7 September 1983
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1984
Report date:
1984

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not applicable
Principles of method if other than guideline:
Chou, J. T. and Jurs, P. C. (1979) Computer-assisted computation of partition coefficients from molecular structures using fragment constants. J. Chem. Int. Comput. Sci., 19, 172-178.

Eadsforth, C.V. (1982) The development of an HPLC analytical method for the determination
of partition coefficients. Group Research Report: SBGR.82.262.

Hansch, C. and Leo, A. (1979) Substituent Constants for Correlation Analysis in Chemistry and Biology, J. Wiley and Sons, New York, 352 pp.

Sittingbourne Analytical Method Series (SAMS 347-1). Partition coefficient determination by distribution of a pure chemical in an octan-l-ol water system.
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Pentene
EC Number:
246-916-6
EC Name:
Pentene
Cas Number:
25377-72-4
Molecular formula:
C5H10
IUPAC Name:
pent-1-ene
Details on test material:
- Name of test material (as cited in study report): Pentene-1.(n-amylene)

- Physical state: Clear, colourless volatile liquid.

- Analytical purity: 94.4%

- Lot/batch No.: ST83/065

- Expiration date of the lot/batch:

- Stability under test conditions: The test substance was judged to have been stable for the duration of this study. (Formulations) The stabilities of formulations of the test substance in Tween 80/ethanol was stable for at least one working day (7.5 h).

- Storage condition of test material: In the dark at ambient temperature.

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
3.8
pH:
6.7
Remarks on result:
other: HPLC method
Type:
log Pow
Partition coefficient:
3
Remarks on result:
other: calculated by fragment-addition method

Applicant's summary and conclusion

Conclusions:
The n-octanol/water partition coefficient of pentene-1 was determined by reverse-phase HPLC and by calculation from chemical structure. The log
Pow values obtained were 3.8 and 3.0 respectively. There results indicate a moderate potential for pentene-l to accumulate from water into organisms.
Executive summary:

The n-octanol/water partition coefficient of pentene-1 was determined by reverse-phase HPLC and by calculation from chemical structure. The log

Pow values obtained were 3.8 and 3.0 respectively. There results indicate a moderate potential for pentene-l to accumulate from water into organisms.

The test was conducted following to the similar methodologies as OECD testguideline 117. There are no information available regarding the testing facility therefore a reliability of 2 is assigned.