Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 210-848-5 | CAS number: 624-48-6
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
- Principles of method if other than guideline:
- HYDROWIN Program v.1.67
- GLP compliance:
- no
Test material
- Reference substance name:
- Dimethyl maleate
- EC Number:
- 210-848-5
- EC Name:
- Dimethyl maleate
- Cas Number:
- 624-48-6
- Molecular formula:
- C6H8O4
- IUPAC Name:
- dimethyl (Z)-but-2-enedioate
- Details on test material:
- - Name of test material (as cited in study report): dimethyl maleate
- Analytical purity: not applicable
SMILES : O=C(OC)C=CC(=O)OC
CHEM : 2-Butenedioic acid (Z)-, dimethyl ester
MOL FOR: C6 H8 O4
MOL WT : 144.13
Constituent 1
Study design
- Estimation method (if used):
- HYDROWIN Program v.1.67
Results and discussion
Any other information on results incl. tables
Kb Half-Life at pH 8: 11.941 days
Kb Half-Life at pH 7: 119.413 days
--------------------------- 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,
orR4 fragments are marked with doubleastericks"**".
ESTER: R1-C(=O)-O-R2 ** R1: -CH=CH-CO-CH3
000624-48-6 R2: -CH3
Kb hydrolysis at atom# 2: 3.359E-001 L/mol-sec
ESTER: R1-C(=O)-O-R2 ** R1: -CH=CH-CO-CH3
000624-48-6 R2: -CH3
Kb hydrolysis at atom# 7: 3.359E-001 L/mol-sec
Total Kb for pH > 8 at 25 degC : 6.718E-001 L/mol-sec
Kb Half-Life at pH 8: 11.941 days
Kb Half-Life at pH 7: 119.413 days
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
