Basic information
- CAS
23055-10-9- Standard SMILES
COC(=O)C=CC(=O)OC- InChIKey
LDCRTTXIJACKKU-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- Dimethyl but-2-enedioate
- IUPAC
- dimethyl but-2-enedioate
- English name
- Dimethyl maleate
- Molecular formula
- C6H8O4
- Molecular weight
- 144.13
Names & synonyms
dimethyl but-2-enedioate23055-10-92-Butenedioic acid, dimethyl esterDimethyl 2-butenedioates2586bis(methoxycarbonyl)etheneDMF (Dimethyl Fumarate)SCHEMBL41836CHEMBL3181998SCHEMBL18166836cis-Propenoic acid dimethyl esterLDCRTTXIJACKKU-UHFFFAOYSA-N
Show more names
(E/Z)-Dimethyl fumarate2-Butenedioic acid, 1,4-dimethyl esterdimethyl (2E)-but-2-enedioate (en)2-Butenedioic acid, dimethyl ester (en)
HMS3656G20HMS3867L13YAA05798AKOS025243814NCGC00346639-01SY004957DB-054169NS00099751
Database identifiers
- CAS
23055-10-9- PubChem CID
- 12215
- ChEMBL
CHEMBL3181998
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 101 · 101-102 °C (sublm)
- Boiling point
- 215 · 215-220 °C
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSOLVENT
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H313-H317-H319-H335-H373-H401
- Precautionary statements
- 260 · P260-P264-P270-P271-P272-P273-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P312-P333+P313-P337+P313-P403+P233-P405-P501
Safety & regulation
Hazard information
Regulatory InformationChemical: 2-Butenedioic acid, dimethyl ester
Regulatory information
Regulatory InformationChemical: 2-Butenedioic acid, dimethyl ester
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H313-H317-H319-H335-H373-H401
- Precautionary statements
- P260-P264-P270-P271-P272-P273-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P312-P333+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Pharmacology
ATC CodeL04AX07
Suppliers5 total
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Additional notes
DefinitionChEBI: Dimethyl fumarate is an enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis. It has a role as an immunomodulator and an antipsoriatic. It is an enoate ester, a methyl ester and a diester. It is functionally related to a methanol and a fumaric acid.
Related reactions
10 records
Compound notes
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