Diallyl maleate

C₁₀H₁₂O₄CAS 999-21-3196.20 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
Density: 1.0773 g/mL (at 20 °C)
Boiling point: 108–110 °C
logP: 1.00Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed90% of notifiers
H302 Harmful if swallowed10% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.8% of notifiers

Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

999-21-3

SMILES

C=CCOC(=O)/C=CC(=O)OCC=C

InChIKey

ZPOLOEWJWXZUSP-WAYWQWQTSA-N

InChI

InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-

Weigh it out

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

Names and synonyms

4 names

2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester
Maleic acid, diallyl ester
2-Butenedioic acid (Z)-, di-2-propenyl ester
2-Butenedioic acid (2Z)-, di-2-propenyl ester

Work with Diallyl 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

Similar compounds

2-Propen-1-yl 2-butenoate20474-93-576 % similar Allyl cinnamate1866-31-559 % similar Allyl chloroformate2937-50-058 % similar Diallyl dicarbonate115491-93-554 % similar Allyl acetate591-87-752 % similar 1,6-Di-2-propen-1-yl hexanedioate2998-04-150 % similar Allyl propionate2408-20-048 % similar 2-Propen-1-yl 2-chloroacetate2916-14-548 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook