Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
August 16, 2007
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Principles of method if other than guideline:
Not applicable.
GLP compliance:
yes
Remarks:
No GLP certificate but including GLP statement signed by study director and signed QAU statement.
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Indene
EC Number:
202-393-6
EC Name:
Indene
Cas Number:
95-13-6
Molecular formula:
C9H8
IUPAC Name:
indene
Test material form:
liquid
Remarks:
Very light yellow liquid
Details on test material:
Density: 0.993 g/mL (at 20°C).
Storage conditions: The test sample was stored in a cold and dark storage place.

Specific details on test material used for the study:
Test item: 1H-indene
Lot number: Non-disclosure information
Purity: 92%

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
3.02
Temp.:
25 °C
pH:
6.4
Details on results:
Condition 1 (10 mL of 1-octanol saturated with water and 20 mL of water saturated with 1-octanol): duplicate values for logPow 3.01 (at pH 6.3) and 3.00 (at pH 6.4), average 3.00 (at pH 6.4);
Condition 2 (15 mL of 1-octanol saturated with water and 15 mL of water saturated with 1-octanol): duplicate values for logPow 3.02 (at pH 6.4) and 3.03 (at pH 6.4), average 3.02 (at pH 6.4);
Condition 3 (20 mL of 1-octanol saturated with water and 10 mL of water saturated with 1-octanol): duplicate values for logPow 3.03 (at pH 6.5) and 3.01 (at pH 6.5), average 3.02 (at pH 6.5);
Overall mean value for logPow 3.02 (at overall mean pH 6.4)

Applicant's summary and conclusion

Conclusions:
The 1-octanol/water partition coefficient of 1H-indene was determined under GLP using the shake flask method according to OECD guideline 107 (1995). Individual results for logPow at each of the three 1-octanol:water ratios tested were in the range 3.00-3.03, with an overall mean logPow of 3.02 (at pH 6.3-6.5, overall mean pH 6.4).
Executive summary:

The 1-octanol/water partition coefficient of 1H-indene was determined under GLP using the shake flask method according to OECD guideline 107 (1995). Measurements were performed in duplicate at concentrations <0.01M using the following 1-octanol:water ratios: 1:1, 1:2 and 2:1. The concentrations of 1H-indene in the 1-octanol and the water layer were determined by HPLC. Individual results for logPow at each of the 3 1-octanol:water ratios were in the range 3.00-3.03, with an overall mean logPow of 3.02. The pH of the water layer was in the range 6.3-6.5 (overall mean pH 6.4).