Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-
RN: 98-19-1
InChIKey: FZSPYHREEHYLCB-UHFFFAOYSA-N

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.274
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1,3-Dimethyl-5-tert-butylbenzene
  • 1-tert-Butyl-3,5-dimethylbenzene
  • 4-05-00-01130 (Beilstein Handbook Reference)
  • 5-tert-Butyl-1,3-dimethylbenzene
  • 5-tert-Butyl-m-xylene
  • AI3-02460
  • Benzene, 1,3-dimethyl-5-(1,1-dimethylethyl)-
  • Benzene, 5-tert-butyl-1,3-dimethyl-
  • BRN 1853314
  • EINECS 202-647-6
  • NSC 11016

Systematic Names

  • 5-tert-Butyl-m-xylene
  • Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-
  • m-Xylene, 5-tert-butyl-

Registry Numbers

CAS Registry Number

  • 98-19-1

System Generated Number

  • 0000098191

Structure Descriptors

InChI

1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3

InChIKey

FZSPYHREEHYLCB-UHFFFAOYSA-N

Smiles

C(c1cc(cc(c1)C)C)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 5gm/kg (5000mg/kg)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 58, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.80E+01 deg C   EXP
Boiling Point 207 deg C   EXP
log P (octanol-water) 5.000 (none)   EST
Atmospheric OH Rate Constant 3.01E-11 cm3/molecule-sec 25 EST

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