sec-Butylbenzene

C₁₀H₁₄CAS 135-98-8134.22 g/mol

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Properties

Molecular formula: C₁₀H₁₄
Molar mass: 134.22 g/mol
Exact mass: 134.1096 Da
Density: 0.858 g/mL (at 25 °C)
Melting point: −82.7 °C
Boiling point: 173.5 °C
Flash point: 52.2 °C (closed cup)
Water solubility: 17.6 mg/L
logP: 3.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor74.7% of notifiers
H304 May be fatal if swallowed and enters airways19.5% of notifiers
H315 Causes skin irritation57.5% of notifiers
H319 Causes serious eye irritation13.8% of notifiers
H411 Toxic to aquatic life with long lasting effects43.7% of notifiers

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

135-98-8

SMILES

CCC(C)c1ccccc1

InChIKey

ZJMWRROPUADPEA-UHFFFAOYSA-N

InChI

InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Benzene, (1-methylpropyl)-
Benzene, sec-butyl-
(1-Methylpropyl)benzene
2-Phenylbutane
(α-Methylpropyl)benzene
(±)-sec-Butylbenzene
(RS)-2-Phenylbutane
NSC 8466

Work with sec-Butylbenzene

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-(1-Methylpropyl)benzenamine30273-11-159 % similar 4-sec-Butylphenol99-71-859 % similar (1-Ethylpropyl)benzene1196-58-358 % similar 1,1-Diphenylpropane1530-03-658 % similar 2-Phenyl-1-propanol1123-85-958 % similar 1-Bromo-2-phenylpropane1459-00-358 % similar (2S)-2-Phenylpropan-1-amine17596-79-158 % similar (R)-2-Phenyl-1-propylamine28163-64-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7 O-Cymene527-84-4

Elsewhere

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