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Substance Name: Pinacolyl alcohol
RN: 464-07-3
UNII: 5BV6T1107J
InChIKey: DFOXKPDFWGNLJU-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.1756
 
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Names and Synonyms

Name of Substance

  • 3,3-Dimethyl-2-butanol
  • Pinacolyl alcohol

Synonyms

  • 2,2-Dimethyl-3-butanol
  • 3,3-Dimethyl-2-butanol
  • 4-01-00-01727 (Beilstein Handbook Reference)
  • BRN 1718948
  • EINECS 207-347-9
  • HSDB 7711
  • NSC 939
  • Pinacolyl alcohol
  • tert-Butyl methyl carbinol
  • UNII-5BV6T1107J

Systematic Names

  • 2-Butanol, 3,3-dimethyl-
  • 3,3-Dimethylbutan-2-ol

Registry Numbers

CAS Registry Number

  • 464-07-3

FDA UNII

  • 5BV6T1107J

Other Registry Number

  • 20281-91-8

System Generated Number

  • 0000464073

Structure Descriptors

InChI

1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

InChIKey

DFOXKPDFWGNLJU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 3600ppm/2.3H (3600ppm) BEHAVIORAL: ATAXIA JAT, Journal of Applied Toxicology. Vol. 7, Pg. 307, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 4.8 deg C   EXP
Boiling Point 120 deg C   EXP
log P (octanol-water) 1.48 (none)   EXP
Water Solubility 2.43E+04 mg/L 25 EXP
Vapor Pressure 8.810 mm Hg 25 EST
Henry's Law Constant 1.76E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.16E-12 cm3/molecule-sec 25 EST

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