Monoethyl fumarate
Properties
- Molecular formula
- C6H8O4
- Molar mass
- 144.13 g/mol
- Exact mass
- 144.0423 Da
- Density
- 1.4382 g/mL (at 87 °C)
- Melting point
- 70 °C
- Boiling point
- 146–149 °C (at 18 Torr)
- logP
- 0.19Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2459-05-4SMILES
CCOC(=O)/C=C/C(=O)OInChIKey
XLYMOEINVGRTEX-ONEGZZNKSA-NInChI
InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2-Butenedioic acid (2E)-, 1-ethyl ester
- Fumaric acid, monoethyl ester
- 2-Butenedioic acid (E)-, monoethyl ester
- Fumaric acid, ethyl ester
- 2-Butenedioic acid (2E)-, monoethyl ester
- Ethyl hydrogen fumarate
- Monoethyl trans-2-butenedioate
- (E)-4-Ethoxy-4-oxo-2-butenoic acid
- (E)-4-Ethoxy-4-oxobut-2-enoic acid
Work with Monoethyl fumarate
Similar compounds
Diethyl maleate141-05-972 % similar
Diethyl fumarate623-91-672 % similar
Monobutyl maleate925-21-364 % similar
Monooctyl maleate2370-71-060 % similar
(E)-3-Ethoxyacrylic acid6192-01-460 % similar
Ethyl trans-crotonate623-70-159 % similar
Ethyl 3-ethoxy-2-propenoate1001-26-957 % similar
Monomethyl fumarate2756-87-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.