4-tert-Butyltoluene

C11H16CAS 98-51-1148.25 g/mol

Properties

Molecular formula
C11H16
Molar mass
148.25 g/mol
Exact mass
148.1252 Da
Density
0.8612 g/mL (at 20 °C)
Melting point
−52 °C
Boiling point
193 °C
Flash point
63 °C (closed cup)
Water solubility
600 mg/L (20 °C)
logP
3.29Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 300 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
98-51-1
SMILES
Cc1ccc(C(C)(C)C)cc1
InChIKey
QCWXDVFBZVHKLV-UHFFFAOYSA-N
InChI
InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3

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Names and synonyms

11 names
  • Benzene, 1-(1,1-dimethylethyl)-4-methyl-
  • Toluene, p-tert-butyl-
  • 1-(1,1-Dimethylethyl)-4-methylbenzene
  • p-tert-Butyltoluene
  • 1-tert-Butyl-4-methylbenzene
  • 4-Methyl-tert-butylbenzene
  • 1-Methyl-4-tert-butylbenzene
  • 4-tert-Butyl-1-methylbenzene
  • p-Methyl-tert-butylbenzene
  • NSC 6589
  • 1-Methyl-4-(1,1-dimethylethyl)benzene

Work with 4-tert-Butyltoluene

Similar compounds

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

Same formula

Elsewhere