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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
May 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 guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Remarks:
Method was modified to a slow-stirring test design.

Test material

Constituent 1
Chemical structure
Reference substance name:
Tetrahydro-3-pentyl-2H-pyran-4-yl acetate
EC Number:
242-640-5
EC Name:
Tetrahydro-3-pentyl-2H-pyran-4-yl acetate
Cas Number:
18871-14-2
Molecular formula:
C12H22O3
IUPAC Name:
3-O-acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitol
Constituent 2
Chemical structure
Reference substance name:
3-butyltetrahydro-5-methyl-2H-pyran-4-yl acetate
EC Number:
253-863-2
EC Name:
3-butyltetrahydro-5-methyl-2H-pyran-4-yl acetate
Cas Number:
38285-49-3
Molecular formula:
C12H22O3
IUPAC Name:
3-O-acetyl-1,5-anhydro-2-butyl-2,4-dideoxy-4-methylpentitol
impurity 1
Reference substance name:
3-pentyltetrahydro-2H-pyran-4-ol
Cas Number:
24646-98-8
Molecular formula:
C10H20O2=
IUPAC Name:
3-pentyltetrahydro-2H-pyran-4-ol
impurity 2
Reference substance name:
Likely acetylated constituents, MW 214
Molecular formula:
n/a
IUPAC Name:
Likely acetylated constituents, MW 214
impurity 3
Reference substance name:
Likely acetylated constituents
Molecular formula:
n/a
IUPAC Name:
Likely acetylated constituents
impurity 4
Reference substance name:
Unknown constituent, MW 172
Molecular formula:
n/a
IUPAC Name:
Unknown constituent, MW 172
Test material form:
liquid
Details on test material:
UVCB substance

Results and discussion

Water solubilityopen allclose all
Water solubility:
661 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
2.5 g/L
Temp.:
20 °C
pH:
7
Water solubility:
1 081 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
25 g/L
Temp.:
20 °C
pH:
7

Applicant's summary and conclusion

Executive summary:

The constituents of JASMONYL LG can be grouped in acetylated compounds (about 95 % of the test item), and non-acetylated compounds (about 5 % of the test item).

Based on these data, two loading rates were applied.

For a JASMONYL LG low loading rate (>2.5 g/L), the water solubility at 20 °C was found to be 661 ± 16 mg/L.

For a JASMONYL LG high loading rate (>25 g/L), the water solubility at 20 °C was found to be 1081 ± 13 mg/L.

The test item is a mixture of several constituents with different solubilities. As it can not be excluded that the different constituents influence the other constituents’s solubilities, the results should be regarded as approximated values.