Allyl propionate

C₆H₁₀O₂CAS 2408-20-0114.14 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
Density: 0.9245 g/mL (at 20 °C)
Boiling point: 124 °C
logP: 1.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation17.1% of notifiers

Aggregated from 1,564 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2408-20-0

SMILES

C=CCOC(=O)CC

InChIKey

XRFWKHVQMACVTA-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3

Weigh it out

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

Names and synonyms

7 names

Propanoic acid, 2-propen-1-yl ester
Propionic acid, allyl ester
Propanoic acid, 2-propenyl ester
2-Propenyl propanoate
Allyl propanoate
NSC 7620
Propanoic acid 2-propen-1-yl ester

Work with Allyl propionate

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

Allyl butyrate2051-78-766 % similar 1,6-Di-2-propen-1-yl hexanedioate2998-04-161 % similar Allyl hexanoate123-68-259 % similar 2-Propen-1-yl 2-chloroacetate2916-14-559 % similar Allyl acetoacetate1118-84-958 % similar Allyl heptanoate142-19-858 % similar 2-Propen-1-yl 2-cyanoacetate13361-32-553 % similar Ethyl propionate105-37-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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