Ethyl (2E)-4-oxo-2-butenoate
Properties
- Molecular formula
- C6H8O3
- Molar mass
- 128.13 g/mol
- Exact mass
- 128.0473 Da
- Boiling point
- 74 °C (at 16 Torr)
- logP
- 0.30Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H300 Fatal if swallowed40% of notifiers
- H301 Toxic if swallowed60% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage20% of notifiers
- H335 May cause respiratory irritation10% of notifiers
- H400 Very toxic to aquatic life10% of notifiers
- H410 Very toxic to aquatic life with long lasting effects30% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
2960-66-9SMILES
CCOC(=O)/C=C/C=OInChIKey
SDGAEBKMHIPSAC-ONEGZZNKSA-NInChI
InChI=1S/C6H8O3/c1-2-9-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2-Butenoic acid, 4-oxo-, ethyl ester, (2E)-
- Fumaraldehydic acid, ethyl ester
- 2-Butenoic acid, 4-oxo-, ethyl ester, (E)-
- Ethyl trans-4-oxobutenoate
- Ethyl fumaraldehydate
- (E)-Ethyl 4-oxo-2-butenoate
- Ethyl (E)-3-formylacrylate
- Ethyl trans-4-oxo-2-butenoate
- (E)-4-Oxo-2-butenoic acid ethyl ester
- (2E)-4-Oxobut-2-enoic acid ethyl ester
- Ethyl (2E)-4-oxobut-2-enoate
- Ethyl (E)-4-oxobut-2-enoate
Work with Ethyl (2E)-4-oxo-2-butenoate
Similar compounds
Diethyl maleate141-05-968 % similar
Diethyl fumarate623-91-668 % similar
Ethyl sorbate2396-84-166 % similar
Ethyl trans-crotonate623-70-161 % similar
Ethyl 3-ethoxy-2-propenoate1001-26-959 % similar
Ethyl (2E)-3-ethoxy-2-propenoate5941-55-959 % similar
Ethyl glyoxylate924-44-757 % similar
Ethyl 4-hydroxycrotonate10080-68-953 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.