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Substance Name: Benzene, (1,1-dimethylpropyl)-
RN: 2049-95-8
InChIKey: QHTJSSMHBLGUHV-UHFFFAOYSA-N

Molecular Formula

  • C11-H16

Molecular Weight

  • 148.247
 
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Names and Synonyms

Synonyms

  • (1,1-Dimethylpropyl)benzene
  • 2-Methyl-2-phenylbutane
  • 2-Phenyl-2-methylbutane
  • 4-05-00-01090 (Beilstein Handbook Reference)
  • AI3-00117
  • Benzene, (1,1-dimethylpropyl)-
  • BRN 2039053
  • EC 218-076-0
  • EINECS 218-076-0
  • NSC 4025
  • tert-Amylbenzene
  • tert-Pentylbenzene

Systematic Names

  • Benzene, (1,1-dimethylpropyl)-
  • Benzene, tert-pentyl-
  • tert-Pentylbenzene

Registry Numbers

CAS Registry Number

  • 2049-95-8

System Generated Number

  • 0002049958

Structure Descriptors

InChI

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

InChIKey

QHTJSSMHBLGUHV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 10mL/kg (10mL/kg) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 192.4 deg C   EXP
log P (octanol-water) 4.390 (none)   EST
Water Solubility 10.5 mg/L 25 EXP
Atmospheric OH Rate Constant 5.95E-12 cm3/molecule-sec 25 EST

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