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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
hydrolysis
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation method: software Hydrowin Version v2.00, provided by the U.S. Environmental Protection Agency
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2010

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: Guidance on information requirements and chemical safety assessment, Chapter R.7a: Endpoint specific guidance, May 2008, ECHA.
Principles of method if other than guideline:
The Aqueous Hydrolysis Rate Program (HYDROWIN) estimates aqueous hydrolysis rate constants for the following chemical classes: esters, carbamates, epoxides, halomethanes, selected alkyl halides and phosphorus esters.  HYDROWIN estimates acid- and base-catalyzed rate constants; with the the
exception of phosphorus esters, it does NOT estimate neutral hydrolysis rate constants.  The estimated acid- and base-catalyzed rate constants are
used to calculate hydrolysis half-lives and selected pHs.
The estimations include the acid- and/or base-catalyzed rate constant and the calculated half-life at pH7 and/or pH8.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Diisopropyl succinate
EC Number:
213-110-0
EC Name:
Diisopropyl succinate
Cas Number:
924-88-9
Molecular formula:
C10H18O4
IUPAC Name:
diisopropyl succinate
Radiolabelling:
no

Results and discussion

Dissipation DT50 of parent compoundopen allclose all
pH:
8
Temp.:
25 °C
DT50:
120 d
Type:
not specified
Remarks on result:
other: QSAR calculation
pH:
7
Temp.:
25 °C
DT50:
3.3 yr
Type:
not specified
Remarks on result:
other: QSAR calculation

Any other information on results incl. tables

SMILES : CC(C)OC(=O)CCC(=O)OC(C)C

CHEM : MOL FOR: C10 H18 O4

MOL WT : 202.25

--------------------------- HYDROWIN v2.00 Results ---------------------------

NOTE: Fragment(s) on this compound are NOT available from the fragment library. Substitute(s) have been used!!! Substitute R1, R2, R3, or R4 fragments are marked with double astericks "**".

ESTER: R1-C(=O)-O-R2 ** R1: -CH2-CH2-CO-CH3 R2: iso-Propyl- Kb hydrolysis at atom # 5: 3.356E-002 L/mol-sec

ESTER: R1-C(=O)-O-R2 ** R1: -CH2-CH2-CO-CH3 R2: iso-Propyl- Kb hydrolysis at atom # 9: 3.356E-002 L/mol-sec

Total Kb for pH > 8 at 25 deg C : 6.712E-002 L/mol-sec

Kb Half-Life at pH 8: 119.523 days

Kb Half-Life at pH 7: 3.272 years

Applicant's summary and conclusion

Conclusions:
The calculated half-life time at 25 °C is 120 days at pH 8 and 3.3 years at pH 7.
Executive summary:

The half life time of diisopropylsuccinate was estimated by an atom/fragment contribution method using the software Hydrowin Version v2.00, provided by the U.S. Environmental Protection Agency.

The calculated half-life time at 25 °C is 120 days at pH 8 and 3.3 years at pH 7.