tert-Amylbenzene

C₁₁H₁₆CAS 2049-95-8148.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆
Molar mass: 148.25 g/mol
Exact mass: 148.1252 Da
Density: 0.87 g/mL
Boiling point: 192.4 °C
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H221 Flammable gas10% of notifiers
H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation30% of notifiers
H317 May cause an allergic skin reaction80% of notifiers
H319 Causes serious eye irritation30% of notifiers
H350 May cause cancer10% of notifiers
H411 Toxic to aquatic life with long lasting effects90% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P377, P381, P391, P403, P403+P235, P405, P501

Identifiers

CAS number

2049-95-8

SMILES

CCC(C)(C)c1ccccc1

InChIKey

QHTJSSMHBLGUHV-UHFFFAOYSA-N

InChI

InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

Weigh it out

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

Names and synonyms

9 names

Benzene, (1,1-dimethylpropyl)-
Benzene, tert-pentyl-
(1,1-Dimethylpropyl)benzene
tert-Pentylbenzene
2-Methyl-2-phenylbutane
Hizol P
NSC 4025
(2-Methylbutan-2-yl)benzene
2-Methylbutan-2-ylbenzene

Work with tert-Amylbenzene

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-tert-Pentylphenol80-46-659 % similar Neophyl chloride515-40-258 % similar Fenbutatin oxide13356-08-652 % similar 2-(1,1-Dimethylpropyl)-9,10-anthracenedione32588-54-849 % similar 2,4-Diphenyl-4-methyl-1-pentene6362-80-747 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-446 % similar Dimethyldiphenylmethane778-22-346 % similar tert-Butylbenzene98-06-646 % similar

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

Same formula

Neopentylbenzene1007-26-7 (1-Ethylpropyl)benzene1196-58-3 Isopentylbenzene2049-94-7 Pentylbenzene538-68-1 Pentamethylbenzene700-12-9 4-tert-Butyltoluene98-51-1

Elsewhere

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