4-tert-Butylstyrene

C₁₂H₁₆CAS 1746-23-2160.26 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₂H₁₆
Molar mass: 160.26 g/mol
Exact mass: 160.1252 Da
Density: 0.8972 g/mL (at 20 °C)
Boiling point: 99–100 °C (at 14 Torr)
logP: 3.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H304 May be fatal if swallowed and enters airways62.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation34.9% of notifiers
H361f Suspected of damaging fertility62.1% of notifiers
H400 Very toxic to aquatic life62.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects62.1% of notifiers

Aggregated from 169 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P331, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1746-23-2

SMILES

C=Cc1ccc(C(C)(C)C)cc1

InChIKey

QEDJMOONZLUIMC-UHFFFAOYSA-N

InChI

InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3

Weigh it out

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

Names and synonyms

10 names

Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-
Styrene, p-tert-butyl-
1-(1,1-Dimethylethyl)-4-ethenylbenzene
p-tert-Butylstyrene
1-tert-Butyl-4-vinylbenzene
1-tert-Butyl-4-ethenylbenzene
p-t-Butylstyrene
4-t-Butylstyrene
1-Ethenyl-4-tert-butylbenzene
4-tert-Butyl-1-ethenylbenzene

Work with 4-tert-Butylstyrene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Di-tert-butylbenzene1012-72-257 % similar 1-Ethenyl-4-(trifluoromethyl)benzene402-50-656 % similar 4-tert-Butylbenzaldehyde939-97-956 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-850 % similar 4,4′-Diethenyl-1,1′-biphenyl4433-13-050 % similar 4-Vinyltoluene622-97-950 % similar 1-(1,1-Dimethylethoxy)-4-ethenylbenzene95418-58-950 % similar P,P'-Divinyl-1,2-diphenylethane48174-52-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methylcyclopentadiene dimer26472-00-4 Cyclohexylbenzene827-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook