Dibutyl maleate

C₁₂H₂₀O₄CAS 105-76-0228.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₀O₄
Molar mass: 228.29 g/mol
Exact mass: 228.1362 Da
Density: 0.9964 g/mL (at 20 °C)
Melting point: −85 °C
Boiling point: 281 °C
logP: 2.23Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation21.2% of notifiers
H317 May cause an allergic skin reaction37.4% of notifiers
H319 Causes serious eye irritation16.1% of notifiers
H335 May cause respiratory irritation15.1% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure21.6% of notifiers

Aggregated from 1,164 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

105-76-0

SMILES

CCCCOC(=O)/C=CC(=O)OCCCC

InChIKey

JBSLOWBPDRZSMB-FPLPWBNLSA-N

InChI

InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-

Weigh it out

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

Names and synonyms

11 names

2-Butenedioic acid (2Z)-, 1,4-dibutyl ester
Maleic acid, dibutyl ester
2-Butenedioic acid (Z)-, dibutyl ester
2-Butenedioic acid (2Z)-, dibutyl ester
DBM
RC Comonomer DBM
Staflex DBM
Butyl maleate
Di-n-butyl maleate
Maleic acid di-n-butyl ester
Vinavil CF 5

Work with Dibutyl 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.

Dibutyl fumarate105-75-9Defined stereoisomer

Similar compounds

Dihexyl maleate16064-83-884 % similar Di-n-octyl maleate2915-53-984 % similar Monobutyl maleate925-21-376 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-575 % similar Butyl (2E,4E)-2,4-hexadienoate7367-78-472 % similar Butyl oxoacetate6295-06-370 % similar Butyl acrylate141-32-268 % similar Butyl cinnamate538-65-862 % similar

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

Same formula

1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-7 trans-4-tert-Butoxycarbonyl-cyclohexane carboxylic acid1021273-74-4 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-5 Monooctyl maleate2370-71-0 Traumatic acid6402-36-4 2-Ethylhexyl maleate7423-42-9

Elsewhere

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