Vinyl pivalate

C₇H₁₂O₂CAS 3377-92-2128.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Density: 0.882 g/mL (at 20 °C)
Boiling point: 113–114 °C
logP: 1.72Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor97.7% of notifiers
H302 Harmful if swallowed93% of notifiers
H312 Harmful in contact with skin93% of notifiers
H315 Causes skin irritation93% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H332 Harmful if inhaled95.3% of notifiers
H335 May cause respiratory irritation95.3% of notifiers
H350 May cause cancer95.3% of notifiers

Aggregated from 43 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3377-92-2

SMILES

C=COC(=O)C(C)(C)C

InChIKey

YCUBDDIKWLELPD-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3

Weigh it out

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

Names and synonyms

6 names

Propanoic acid, 2,2-dimethyl-, ethenyl ester
Pivalic acid, vinyl ester
Vinyl trimethylacetate
Vynate neo 5
VeoVa 5
NSC 83563

Work with Vinyl pivalate

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

Ethenyl 2,2,2-trifluoroacetate433-28-356 % similar Pivalic anhydride1538-75-650 % similar Vinyl neodecanoate51000-52-347 % similar Methyl pivalate598-98-146 % similar Vinyl acetate108-05-444 % similar tert-Butyl trimethylacetate16474-43-444 % similar Polyvinyl acetate9003-20-744 % similar Ethylene-vinyl acetate24937-78-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook