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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

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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:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

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:
3,4-dihydro-2H-pyran
EC Number:
203-810-4
EC Name:
3,4-dihydro-2H-pyran
Cas Number:
110-87-2
Molecular formula:
C5H8O
IUPAC Name:
3,4-dihydro-2H-pyran
Test material form:
liquid
Specific details on test material used for the study:
- Name of test material (as cited in study report): 3,4-Dihydro-2H-pyrane
- Analytical purity: 99.3 %
- Lot/batch No.: 61460397G0

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1.6
Temp.:
23 °C
pH:
6.5

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

 

 

 

2-Butanone

3.5

1.19

0.075

0.3

Acetanilide

5.2

2.2.5

0.352

1.0

Benzonitrile

9.4

4.88

0.688

1.6

4-Methyl-benzylalcohol

15.0

8.38

0.923

1.7

Aceto-phenone

16.5

9.31

0.969

1.6

Nitrobenzene

26.4

15.50

1.190

1.9

Methyl benzoate

33.0

19.63

1.293

2.1

Test item

 

14.0

7.75

0.889

1.6

Equation: log Paw = 1.3361og k' + 0.4093

Result: log Paw = 1.6 at 23°C and at pH = 6.5 (pH of the water used)

Applicant's summary and conclusion