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Substance Name: 1-Octanol
RN: 111-87-5
UNII: NV1779205D
InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N

Note

  • A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed).

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.2292
 

Classification Codes

  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant
  • Solvents
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Names and Synonyms

Name of Substance

  • 1-Octanol
  • Caprylic alcohol
  • n-Octanol
  • n-Octyl alcohol

MeSH Heading

  • 1-Octanol

Synonyms

  • 1-Hydroxyoctane
  • 1-Octanol
  • AI3-02169
  • Alcohol C-8
  • Alfol 8
  • C8 alcohol
  • Caprylic alcohol
  • Caswell No. 611A
  • CCRIS 9099
  • Dytol M-83
  • EC 203-917-6
  • EINECS 203-917-6
  • EPA Pesticide Chemical Code 079037
  • EPAL 8
  • Fatty alcohol(C8)
  • FEMA No. 2800
  • FEMA Number 2800
  • Heptyl carbinol
  • HSDB 700
  • Lorol 20
  • n-Caprylic alcohol
  • n-Octan-1-ol
  • n-Octanol
  • n-Octyl alcohol
  • NSC 9823
  • Octanol
  • Octilin
  • Octyl alcohol (natural)
  • Octyl alcohol, normal-primary
  • Octyl alcohol, primary
  • Primary octyl alcohol
  • Sipol L8
  • UNII-NV1779205D

Systematic Names

  • 1-Octanol
  • Octan-1-ol
  • Octyl alcohol

Superlist Names

  • 1-Octanol
  • Octanol
  • Octanol (all isomers)
  • Octyl alcohol

Registry Numbers

CAS Registry Number

  • 111-87-5

FDA UNII

  • NV1779205D

Other Registry Number

  • 220713-26-8

System Generated Number

  • 0000111875

Structure Descriptors

InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChIKey

KBPLFHHGFOOTCA-UHFFFAOYSA-N

Smiles

CCCCCCCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 1240mg/kg (1240mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.
mammal (species unspecified) LD50 unreported 4gm/kg (4000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LD50 intravenous 69mg/kg (69mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse LD50 oral 1790mg/kg (1790mg/kg)   Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966.
rat LCLo inhalation 5600mg/m3/4H (5600mg/m3) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BLOOD: HEMORRHAGE		 United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1088-0762,
rat LD50 oral > 3200mg/kg (3200mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.55E+01 deg C   EXP
Boiling Point 195.1 deg C   EXP
log P (octanol-water) 3 (none)   EXP
Water Solubility 540 mg/L 25 EXP
Vapor Pressure 0.0794 mm Hg 25 EXP
Henry's Law Constant 2.45E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.44E-11 cm3/molecule-sec 25 EXP

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