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Substance Name: Octyl alcohol, mixed isomers
RN: 29063-28-3
InChIKey: NMRPBPVERJPACX-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.229
 
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Names and Synonyms

Synonyms

  • 4-01-00-01756 (Beilstein Handbook Reference)
  • BRN 1697461
  • EINECS 249-405-6
  • Octanol, mixed isomers

Systematic Names

  • Octanol
  • Octyl alcohol, mixed isomers

Registry Numbers

CAS Registry Number

  • 29063-28-3

System Generated Number

  • 0029063283

Structure Descriptors

InChI

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

InChIKey

NMRPBPVERJPACX-UHFFFAOYSA-N

Smiles

CCCCCC(O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5660uL/kg (5.66mL/kg)   Union Carbide Data Sheet. Vol. 1/11/1968,
rat LD50 oral 5190uL/kg (5.19mL/kg)   Union Carbide Data Sheet. Vol. 1/11/1968,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.60E+01 deg C   EXP
Boiling Point 195 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 586 mg/L 25 EXP
Vapor Pressure 0.217 mm Hg 25 EST
Henry's Law Constant 3.10E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

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