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Substance Name: Neopentyl alcohol
RN: 75-84-3
UNII: 5I067PJD7S
InChIKey: KPSSIOMAKSHJJG-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-O

Molecular Weight

  • 88.1488
 
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Names and Synonyms

Name of Substance

  • 2,2-Dimethylpropanol
  • Neopentyl alcohol

Synonyms

  • 1-Propanol, 2,2-dimethyl-
  • 2,2-Dimethyl-1-propanol
  • 2,2-Dimethylpropyl alcohol
  • AI3-20879
  • EINECS 200-907-3
  • HSDB 103
  • Neoamyl alcohol
  • Neopentanol
  • Neopentyl alcohol
  • tert-Butylcarbinol
  • UNII-5I067PJD7S

Systematic Names

  • 1-Propanol, 2,2-dimethyl-
  • 2,2-Dimethylpropanol

Superlist Names

  • 1-Propanol, 2,2-dimethyl-
  • tert-Butylcarbinol

Registry Numbers

CAS Registry Number

  • 75-84-3

FDA UNII

  • 5I067PJD7S

System Generated Number

  • 0000075843

Structure Descriptors

InChI

1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3

InChIKey

KPSSIOMAKSHJJG-UHFFFAOYSA-N

Smiles

C(CO)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52.5 deg C   EXP
Boiling Point 113.5 deg C   EXP
log P (octanol-water) 1.31 (none)   EXP
Water Solubility 3.50E+04 mg/L 25 EXP
Vapor Pressure 16 mm Hg 20 EXP
Henry's Law Constant 5.30E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.53E-12 cm3/molecule-sec 25 EXP

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