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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From June 29,2017 to July 14, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
EC Number:
204-846-3
EC Name:
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
Cas Number:
127-51-5
Molecular formula:
C14H22O
IUPAC Name:
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Constituent 2
Chemical structure
Reference substance name:
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
EC Number:
231-926-5
EC Name:
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
Cas Number:
7779-30-8
Molecular formula:
C14H22O
IUPAC Name:
1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Constituent 3
Chemical structure
Reference substance name:
1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
EC Number:
204-843-7
EC Name:
1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
Cas Number:
127-43-5
Molecular formula:
C14H22O
IUPAC Name:
1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one
Test material form:
liquid
Details on test material:
Batch #: VE00322947
Specific details on test material used for the study:
Aspect: Colourless to pale yellow liquid
Lot #: VE00322947
Expiration date: Feb 24,2018

Results and discussion

Water solubility
Key result
Water solubility:
25.6 mg/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
1 000 mg/L
Incubation duration:
>= 48 - <= 96 h
Temp.:
20 °C
pH:
7

Applicant's summary and conclusion

Executive summary:

The solubility of ISORALDEINE 40 in ultrapure water was determined according to the OECD Guidline No. 105 (flask method).

The result is: Solubility in water : 25.6 mg/L at 20°C

The result correponds to the saturation mass concentrations of ISORALDEINE 40 in ultrapure water at 20°C.