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tert-Butylbenzene

CAT: 0572-TRC-T135895-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T135895-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-06-6
Synonyms
Benzene, (1,1-dimethylethyl)-; Benzene, tert-butyl- (8CI); (1,1-Dimethylethyl)benzene; 2-Methyl-2-phenylpropane; Dimethylethylbenzene; NSC 6557; Phenyltrimethylmethane; Trimethylphenylmethane; t-Butylbenzene; tert-Butylbenzene
Hazard Statement
Flammable liquid and vapour; UN number: UN2709; Packing Group: III
Smiles
CC(C)(C)c1ccccc1
Molecular Formula
C10 H14
Molecular Weight
134.22
InChI
InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
Additionnal Information
IUPAC name: tert-butylbenzene
Shipping Conditions
Room Temperature

Chemical Information

Tert-Butylbenzene
CAS Number98-06-6
PubChem CID7366
IUPAC Nametert-butylbenzene
Molecular FormulaC10H14
Molecular Weight134.22
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity91
SMILES
CC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
YTZKOQUCBOVLHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-Butylbenzene
CAS: 98-06-6
CID: 7366
Formula: C10H14
MW: 134.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.22
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass134.109550447
Monoisotopic Mass134.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity91.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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