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Substance Name: 2-Butanol, 2,3,3-trimethyl- (8CI)(9CI)
RN: 594-83-2
InChIKey: OKXVARYIKDXAEO-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O

Molecular Weight

  • 116.202
 
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Names and Synonyms

Synonyms

  • 2,3,3-Trimethyl-2-butanol
  • Ethanol, pentamethyl-
  • NSC 227929

Systematic Name

  • 2-Butanol, 2,3,3-trimethyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 594-83-2

System Generated Number

  • 0000594832

Structure Descriptors

InChI

1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3

InChIKey

OKXVARYIKDXAEO-UHFFFAOYSA-N

Smiles

C(C(C)(C)O)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 17 deg C   EXP
Boiling Point 131 deg C   EXP
log P (octanol-water) 2.090 (none)   EST
Water Solubility 2.20E+04 mg/L 40 EXP
Vapor Pressure 7.430 mm Hg 25 EST
Henry's Law Constant 2.34E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-12 cm3/molecule-sec 25 EST

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