Monoethyl succinate

C₆H₁₀O₄CAS 1070-34-4146.14 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₆H₁₀O₄
Molar mass: 146.14 g/mol
Exact mass: 146.0579 Da
Melting point: 8 °C
Boiling point: 147 °C (at 15 Torr)
logP: 0.41Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1070-34-4

SMILES

CCOC(=O)CCC(=O)O

InChIKey

LOLKAJARZKDJTD-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Butanedioic acid, 1-ethyl ester
Succinic acid, monoethyl ester
Butanedioic acid, monoethyl ester
Succinic acid, ethyl ester
Ethyl hydrogen succinate
3-Ethoxycarbonylpropionic acid
4-Ethoxy-4-oxobutanoic acid
Ethyl monosuccinate

Work with Monoethyl succinate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Monoethyl glutarate1070-62-881 % similar 1-Ethyl hexanedioate626-86-879 % similar 1-Ethyl heptanedioate33018-91-676 % similar Ethyl hydrogen sebacate693-55-076 % similar Diethyl succinate123-25-171 % similar Monoethyl malonate1071-46-168 % similar Diethyl glutarate818-38-262 % similar Diethyl γ-ketopimelate6317-49-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dimethyl succinate106-65-0 Glycol diacetate111-55-7 Adipic acid124-04-9 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9 Methyl 4-methoxyacetoacetate41051-15-4

Elsewhere

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