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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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