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Substance Name: 3-Hexanol
RN: 623-37-0
UNII: I1ZTO95J84
InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.176
 
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Names and Synonyms

Name of Substance

  • 3-Hexanol

Synonyms

  • 3-Hexanol
  • 3-Hexanol (natural)
  • 3-Hexyl alcohol
  • EINECS 210-790-0
  • Ethyl propyl carbinol
  • FEMA No. 3351
  • NSC 60708
  • UNII-I1ZTO95J84

Systematic Name

  • 3-Hexanol

Superlist Name

  • 3-Hexanol

Registry Numbers

CAS Registry Number

  • 623-37-0

FDA UNII

  • I1ZTO95J84

Other Registry Number

  • 17015-11-1

System Generated Number

  • 0000623370

Structure Descriptors

InChI

1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

InChIKey

ZOCHHNOQQHDWHG-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 134.75 deg C   EXP
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 1.61E+04 mg/L 25 EXP
Vapor Pressure 4.81 mm Hg 25 EXP
Henry's Law Constant 4.02E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-11 cm3/molecule-sec 25 EST

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