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Substance Name: 3-Pentanol, 2-methyl-
RN: 565-67-3
InChIKey: ISTJMQSHILQAEC-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.176
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-pentanol
  • 4-01-00-01716 (Beilstein Handbook Reference)
  • BRN 1718952
  • EINECS 209-286-3
  • Propanol, 1-isopropyl-

Systematic Names

  • 2-Methylpentan-3-ol
  • 3-Pentanol, 2-methyl-

Registry Numbers

CAS Registry Number

  • 565-67-3

System Generated Number

  • 0000565673

Structure Descriptors

InChI

1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3

InChIKey

ISTJMQSHILQAEC-UHFFFAOYSA-N

Smiles

C([C@@H](CC)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03032,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 126.5 deg C   EXP
log P (octanol-water) 1.680 (none)   EST
Water Solubility 2.01E+04 mg/L 25 EXP
Vapor Pressure 5.380 mm Hg 25 EST
Henry's Law Constant 1.76E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.44E-11 cm3/molecule-sec 25 EST

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