Dimethyl maleate
Properties
- Molecular formula
- C6H8O4
- Molar mass
- 144.13 g/mol
- Exact mass
- 144.0423 Da
- Density
- 1.34 g/mL (at −33 °C)
- Melting point
- −19 °C
- Boiling point
- 202 °C
- logP
- -0.11Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage22.3% of notifiers
- H317 May cause an allergic skin reaction94.9% of notifiers
- H319 Causes serious eye irritation73.1% of notifiers
- H335 May cause respiratory irritation94.3% of notifiers
Aggregated from 175 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
624-48-6SMILES
COC(=O)/C=CC(=O)OCInChIKey
LDCRTTXIJACKKU-ARJAWSKDSA-NInChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- 2-Butenedioic acid (2Z)-, 1,4-dimethyl ester
- Maleic acid, dimethyl ester
- 2-Butenedioic acid (Z)-, dimethyl ester
- 2-Butenedioic acid (2Z)-, dimethyl ester
- Methyl maleate
- Sipomer DMM
- Dimethyl cis-ethylenedicarboxylate
- Dimethyl (Z)-butenedioate
- Dimethyl cis-ethenedicarboxylate
- Dimethyl cis-butenedioate
- (Z)-Dimethyl 2-butenedioate
- (2Z)-2-Butenedioic acid dimethyl ester
- Dimethyl (Z)-but-2-enedioate
- (Z)-2-Butenedioic acid dimethyl ester
- 1,4-Dimethyl (2Z)-but-2-enedioate
Work with Dimethyl maleate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl crotonate623-43-874 % similar
Monomethyl fumarate2756-87-868 % similar
Monomethyl maleate3052-50-468 % similar
Methyl 3-methoxyacrylate34846-90-767 % similar
Methyl trans-β-methoxyacrylate5788-17-067 % similar
Methyl 2,4-hexadienoate1515-80-664 % similar
Methyl glyoxylate922-68-960 % similar
Methyl 4-bromo-2-butenoate1117-71-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.