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Substance Name: 3,3-Dimethyl-1-butene
RN: 558-37-2
UNII: 01ZB73D2KK
InChIKey: PKXHXOTZMFCXSH-UHFFFAOYSA-N

Molecular Formula

  • C6-H12

Molecular Weight

  • 84.1608
 
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Names and Synonyms

Name of Substance

  • 3,3-Dimethyl-1-butene

Synonyms

  • 2,2-Dimethyl-3-butene
  • 3,3-Dimethyl-1-butene
  • 3,3-Dimethylbutene
  • EINECS 209-195-9
  • Neohexene
  • NSC 74119
  • tert-Butylethene
  • tert-Butylethylene
  • tert-Hexene
  • Trimethylvinylmethane
  • UNII-01ZB73D2KK

Systematic Names

  • 1-Butene, 3,3-dimethyl-
  • 3,3-Dimethylbutene

Superlist Name

  • 1-Butene, 3,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 558-37-2

FDA UNII

  • 01ZB73D2KK

Other Registry Number

  • 11069-54-8

System Generated Number

  • 0000558372

Structure Descriptors

InChI

1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3

InChIKey

PKXHXOTZMFCXSH-UHFFFAOYSA-N

Smiles

C(C=C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.15E+02 deg C   EXP
Boiling Point 41.2 deg C   EXP
log P (octanol-water) 3.040 (none)   EST
Water Solubility 94.4 mg/L 25 EST
Vapor Pressure 431 mm Hg 25 EXP
Henry's Law Constant 0.359 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.84E-11 cm3/molecule-sec 25 EXP

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