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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study, to GLP

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Principles of method if other than guideline:
A modified shake flask method was adopted, slowly stirring at 20 °C in the sark, sampling daily until equilibrium was achieved.
GLP compliance:
yes (incl. QA statement)
Type of method:
other: a modified shake flask method was adopted

Test material

Constituent 1
Chemical structure
Reference substance name:
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl pivalate
EC Number:
268-259-4
EC Name:
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl pivalate
Cas Number:
68039-44-1
Molecular formula:
C15H22O2
IUPAC Name:
3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl pivalate
Constituent 2
Chemical structure
Reference substance name:
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl pivalate
EC Number:
268-261-5
EC Name:
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl pivalate
Cas Number:
68039-45-2
Molecular formula:
C15H22O2
IUPAC Name:
3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl pivalate
impurity 1
Chemical structure
Reference substance name:
rel-(1R,2S,3aR,4S,5R,6aS,7R)-octahydro-1,5:2,4-dimethanopentalen-7-yl pivalate
Molecular formula:
C15H22)2
IUPAC Name:
rel-(1R,2S,3aR,4S,5R,6aS,7R)-octahydro-1,5:2,4-dimethanopentalen-7-yl pivalate
Test material form:
other: liquid, may crystalize to white solid
Specific details on test material used for the study:
Details on Test Material
- Name of test material (as cited in study report): Pivacyclene
- Physical state: Colourless to pale yellow liquid, may crystalize.
- Analytical purity: >=92.0 %
- Lot/batch No.: SC00004118
- Expiration date of the lot/batch: 17 July 2014.
- Stability under test conditions: Stable.
- Storage condition of test material: Protect from light. Refrigerated at 2 to 8 °C

Results and discussion

Water solubility
Water solubility:
3.53 mg/L
Temp.:
20 °C
pH:
7

Applicant's summary and conclusion

Conclusions:
The solubility of Pivacyclene in water at 20 °C is 3.53 mg/L
Executive summary:

In an OECD guideline study (TG 105), conducted to GLP, the solubility of Pivacyclene in water (at 20 °C and using a modified shake flask method) was determined to be 3.53 mg/L.