3-Methylstyrene
Properties
- Molecular formula
- C9H10
- Molar mass
- 118.18 g/mol
- Exact mass
- 118.0783 Da
- Density
- 0.91 g/mL
- Melting point
- −86.3 °C
- Boiling point
- 172 °C
- Flash point
- 51 °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 vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways97.4% of notifiers
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation97.4% of notifiers
- H332 Harmful if inhaled96.7% of notifiers
- H335 May cause respiratory irritation31.4% of notifiers
- H400 Very toxic to aquatic life68% of notifiers
- H410 Very toxic to aquatic life with long lasting effects68% of notifiers
Aggregated from 153 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
100-80-1SMILES
C=Cc1cccc(C)c1InChIKey
JZHGRUMIRATHIU-UHFFFAOYSA-NInChI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1-ethenyl-3-methyl-
- Styrene, m-methyl-
- 1-Ethenyl-3-methylbenzene
- m-Methylstyrene
- m-Vinyltoluene
- 1-Methyl-3-vinylbenzene
- 3-Vinyltoluene
- 3-Ethenylmethylbenzene
- 1-(3-Methylphenyl)-1-ethene
Work with 3-Methylstyrene
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
3-Methylbenzaldehyde620-23-557 % similar
Styrene100-42-554 % similar
Polystyrene9003-53-654 % similar
3-Chlorostyrene2039-85-254 % similar
3-Fluorostyrene350-51-654 % similar
M-Xylene108-38-352 % similar
3-Aminostyrene15411-43-552 % similar
3-Bromostyrene2039-86-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds