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Substance Name: t-Butylbenzene
RN: 98-06-6
UNII: M1R2NME7S2
InChIKey: YTZKOQUCBOVLHL-UHFFFAOYSA-N

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.221
 
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Names and Synonyms

Name of Substance

  • t-Butylbenzene
  • tert-Butylbenzene

Synonyms

  • 1,1-Dimethylethylbenzene
  • 2-Methyl-2-phenylpropane
  • AI3-00118
  • Benzene, (1,1-dimethylethyl)-
  • Benzene, tert-butyl-
  • Dimethyl ethyl benzene
  • Dimethylethylbenzene
  • Dimethylethylbenzene (VAN)
  • EINECS 202-632-4
  • HSDB 5315
  • NSC 6557
  • Phenyltrimethylmethane
  • Pseudobutylbenzene
  • tert-Butylbenzene
  • tertiary-Butylbenzene
  • Trimethylphenylmethane
  • UNII-M1R2NME7S2

Systematic Names

  • Benzene, (1,1-dimethylethyl)-
  • Benzene, tert-butyl-
  • tert-Butylbenzene

Superlist Names

  • 2-Methyl-2-phenylpropane
  • Benzene, (1,1-dimethylethyl)-
  • tert-Butylbenzene

Registry Numbers

CAS Registry Number

  • 98-06-6

FDA UNII

  • M1R2NME7S2

System Generated Number

  • 0000098066

Structure Descriptors

InChI

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

InChIKey

YTZKOQUCBOVLHL-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3045mg/kg (3045mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0571879,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.78E+01 deg C   EXP
Boiling Point 169.1 deg C   EXP
log P (octanol-water) 4.11 (none)   EXP
Water Solubility 29.5 mg/L 25 EXP
Vapor Pressure 2.2 mm Hg 25 EXP
Henry's Law Constant 0.013 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.60E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.