Vinyl propionate

C₅H₈O₂CAS 105-38-4100.12 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
Density: 0.9101 g/mL (at 20 °C)
Melting point: −80 °C
Boiling point: 91.2 °C
logP: 1.08Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation23.3% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H331 Toxic if inhaled73.6% of notifiers
H351 Suspected of causing cancer73.6% of notifiers
H412 Harmful to aquatic life with long lasting effects73.6% of notifiers

Aggregated from 163 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

105-38-4

SMILES

C=COC(=O)CC

InChIKey

UIWXSTHGICQLQT-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

4 names

Propanoic acid, ethenyl ester
Propionic acid, vinyl ester
Vinyl propanoate
NSC 5275

Work with Vinyl 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

Vinyl butyrate123-20-663 % similar Ethenyl 2-chloroacetate2549-51-158 % similar Divinyl adipate4074-90-258 % similar Vinyl hexanoate3050-69-957 % similar Vinyl stearate111-63-755 % similar Vinyl laurate2146-71-655 % similar Vinyl decanoate4704-31-855 % similar Allyl propionate2408-20-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4 2H-Pyran-3(4H)-one, dihydro-23462-75-1

Elsewhere

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