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Substance Name: 2-Octanol
RN: 123-96-6
UNII: 66B0DD5E40
InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.2292
 
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Names and Synonyms

Name of Substance

  • 2-Octanol

Synonyms

  • 1-Methyl-1-heptanol
  • 1-Methylheptyl alcohol
  • 2-Hydroxy-n-octane
  • 2-Hydroxyoctane
  • 2-Octanol
  • 2-Octanol (+-)
  • 2-Octanol (natural)
  • 2-Octyl alcohol
  • AI3-05598
  • beta-Octyl alcohol
  • Capryl alcohol
  • Caprylic alcohol, secondary
  • EC 204-667-0
  • EINECS 204-667-0
  • EINECS 223-938-4
  • FEMA No. 2801
  • FEMA Number 2801
  • Hexyl methyl carbinol
  • Hexylmethylcarbinol
  • HSDB 5601
  • Methyl hexyl carbinol
  • Methylhexylcarbinol
  • n-Octan-2-ol
  • NSC 14759
  • s-Octyl alcohol
  • sec-Caprylic alcohol
  • secondary Caprylic alcohol
  • UNII-66B0DD5E40

Systematic Names

  • (1)-Octan-2-ol
  • 2-Octanol
  • Octan-2-ol

Superlist Name

  • 2-Octanol

Registry Numbers

CAS Registry Number

  • 123-96-6

FDA UNII

  • 66B0DD5E40

Other Registry Numbers

  • 113244-40-9
  • 4128-31-8

System Generated Number

  • 0000123966

Structure Descriptors

InChI

1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3

InChIKey

SJWFXCIHNDVPSH-UHFFFAOYSA-N

Smiles

CCCCCCC(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 6934mg/kg (6934mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38.6 deg C   EXP
Boiling Point 178.5 deg C   EXP
log P (octanol-water) 2.9 (none)   EXP
Water Solubility 1120 mg/L 25 EXP
Vapor Pressure 0.242 mm Hg 25 EXP
Henry's Law Constant 1.23E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.56E-11 cm3/molecule-sec 25 EST

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