n-Butylbenzene

C₁₀H₁₄CAS 104-51-8134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄
Molar mass: 134.22 g/mol
Exact mass: 134.1096 Da
Density: 0.8601 g/mL (at 20 °C)
Melting point: −87.9 °C
Boiling point: 183.3 °C
Flash point: 71.1 °C (open cup)
Water solubility: 11.8 mg/L
logP: 3.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor91.4% of notifiers
H304 May be fatal if swallowed and enters airways56.2% of notifiers
H315 Causes skin irritation27.6% of notifiers
H319 Causes serious eye irritation28.1% of notifiers
H400 Very toxic to aquatic life94.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects67% of notifiers

Aggregated from 185 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

104-51-8

SMILES

CCCCc1ccccc1

InChIKey

OCKPCBLVNKHBMX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, butyl-
Butylbenzene
1-Phenylbutane
1-Butylbenzene
NSC 8465

Reactions

n-BUTYLBENZENE (Benzene, butyl-)product

Work with n-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

Pentylbenzene538-68-184 % similar Decylbenzene104-72-380 % similar Hexylbenzene1077-16-380 % similar Heptylbenzene1078-71-380 % similar n-Nonylbenzene1081-77-280 % similar Dodecylbenzene123-01-380 % similar Tridecylbenzene123-02-480 % similar Hexadecylbenzene1459-09-280 % similar

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

Same formula

1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 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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