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Substance Name: 1,4-Di-tert-butylbenzene
RN: 1012-72-2
UNII: 55PTX4KH71
InChIKey: OOWNNCMFKFBNOF-UHFFFAOYSA-N

Molecular Formula

  • C14-H22

Molecular Weight

  • 190.328
 
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Names and Synonyms

Name of Substance

  • 1,4-Di-tert-butylbenzene

Synonyms

  • 1,4-Di-tert-butylbenzene
  • AI3-11248
  • Benzene, p-di-tert-butyl-
  • Bis(1,1-dimethylethyl)benzene
  • EINECS 213-790-9
  • NSC 6342
  • p-Di-tert-butylbenzene
  • UNII-55PTX4KH71

Systematic Names

  • 1,4-Di-tert-butylbenzene
  • Benzene, 1,4-bis(1,1-dimethylethyl)-
  • Benzene, bis(1,1-dimethylethyl)-
  • Benzene, p-di-tert-butyl- (8CI)

Registry Numbers

CAS Registry Number

  • 1012-72-2

FDA UNII

  • 55PTX4KH71

System Generated Number

  • 0001012722

Structure Descriptors

InChI

1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3

InChIKey

OOWNNCMFKFBNOF-UHFFFAOYSA-N

Smiles

C(c1ccc(C(C)(C)C)cc1)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 10mL/kg (10mL/kg) LIVER: OTHER CHANGES AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 79.5 deg C   EXP
Boiling Point 238 deg C   EXP
log P (octanol-water) 5.810 (none)   EST
Atmospheric OH Rate Constant 6.16E-12 cm3/molecule-sec 25 EST

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