4-Vinyltoluene
Properties
- Molecular formula
- C9H10
- Molar mass
- 118.18 g/mol
- Exact mass
- 118.0783 Da
- Density
- 0.9173 g/mL (at 25 °C)
- Melting point
- −34.1 °C
- Boiling point
- 172.8 °C
- Flash point
- 46 °C (closed cup)
- Water solubility
- 89 mg/L (25 °C)
- logP
- 2.64Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor95.5% of notifiers
- H304 May be fatal if swallowed and enters airways94.2% of notifiers
- H315 Causes skin irritation91.8% of notifiers
- H319 Causes serious eye irritation91.5% of notifiers
- H332 Harmful if inhaled67% of notifiers
- H335 May cause respiratory irritation56.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects23.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects14.7% of notifiers
Aggregated from 449 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, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
622-97-9SMILES
C=Cc1ccc(C)cc1InChIKey
JLBJTVDPSNHSKJ-UHFFFAOYSA-NInChI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- Benzene, 1-ethenyl-4-methyl-
- Styrene, p-methyl-
- 1-Ethenyl-4-methylbenzene
- 4-Methylstyrene
- p-Vinyltoluene
- 1-Methyl-4-vinylbenzene
- p-Methylstyrene
- 1-p-Tolylethene
- PMS
- 4-Ethenylmethylbenzene
- (4-Methylphenyl)ethene
- (4-Tolyl)ethene
- 4-Methylvinylbenzene
- 1-Vinyl-4-methylbenzene
- 1-(4-Methylphenyl)-1-ethene
- p-Tolylethylene
- 4-Methyl-1-ethenylbenzene
Work with 4-Vinyltoluene
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
4,4′-Diethenyl-1,1′-biphenyl4433-13-057 % similar
P,P'-Divinyl-1,2-diphenylethane48174-52-352 % similar
Styrene100-42-550 % similar
4-Methylbenzaldehyde104-87-050 % similar
P-Xylene106-42-350 % similar
4-Chlorostyrene1073-67-250 % similar
4-Aminostyrene1520-21-450 % similar
4-tert-Butylstyrene1746-23-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds