Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus Lite•Browse•Advanced

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
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.