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Substance Name: Di-tert-Butylmethane
RN: 1070-87-7
UNII: 7JS6EAL3EE
InChIKey: GUMULFRCHLJNDY-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Name of Substance

  • Di-tert-Butylmethane

Synonyms

  • 2,2,4,4-Tetramethylpentane
  • Di-tert-Butylmethane
  • NSC 23692
  • UNII-7JS6EAL3EE

Systematic Name

  • Pentane, 2,2,4,4-tetramethyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 1070-87-7

FDA UNII

  • 7JS6EAL3EE

System Generated Number

  • 0001070877

Structure Descriptors

InChI

1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3

InChIKey

GUMULFRCHLJNDY-UHFFFAOYSA-N

Smiles

C(CC(C)(C)C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.65E+01 deg C   EXP
Boiling Point 122.2 deg C   EXP
log P (octanol-water) 4.540 (none)   EST
Water Solubility 3.610 mg/L 25 EST
Vapor Pressure 20 mm Hg 25 EXP
Henry's Law Constant 4.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.42E-12 cm3/molecule-sec 25 EST

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