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Substance Name: Pinacol
RN: 76-09-5
UNII: 527QE7I5CO
InChIKey: IVDFJHOHABJVEH-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O2

Molecular Weight

  • 118.175
 
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Names and Synonyms

Name of Substance

  • Pinacol

Synonyms

  • 1,1,2,2-Tetramethylethylene glycol
  • 2,3-Dimethyl-2,3-butanediol
  • 4-01-00-02575 (Beilstein Handbook Reference)
  • AI3-02251
  • BRN 1340501
  • EINECS 200-933-5
  • NSC 25943
  • Pinacol
  • Pinacone
  • Tetramethylethylene glycol
  • UNII-527QE7I5CO

Systematic Names

  • 2,3-Butanediol, 2,3-dimethyl-
  • Pinacol

Superlist Name

  • Pinacol

Registry Numbers

CAS Registry Number

  • 76-09-5

FDA UNII

  • 527QE7I5CO

Other Registry Number

  • 52400-10-9

System Generated Number

  • 0000076095

Structure Descriptors

InChI

1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3

InChIKey

IVDFJHOHABJVEH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3380mg/kg (3380mg/kg) BEHAVIORAL: ANTICONVULSANT Food and Cosmetics Toxicology. Vol. 14, Pg. 841, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 174.4 deg C   EXP
log P (octanol-water) 0.540 (none)   EST
Water Solubility 3.51E+04 mg/L 25 EST
Vapor Pressure 0.501 mm Hg 25 EST
Henry's Law Constant 4.06E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.35E-12 cm3/molecule-sec 25 EST

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