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Substance Name: 1-Hexanol
RN: 111-27-3
UNII: 6CP2QER8GS
InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Classification Codes

  • Anesthetics
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Cholinergic Agents
  • Cholinergic Antagonists
  • Neurotransmitter Agents
  • Nicotinic Antagonists
  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.1756
 

Names and Synonyms

Name of Substance

  • 1-Hexanol
  • Hexyl alcohol
  • n-Hexanol
  • n-Hexyl alcohol

Synonyms

  • 1-Hexanol
  • 1-Hexyl alcohol
  • 1-Hydroxyhexane
  • 4-01-00-01694 (Beilstein Handbook Reference)
  • AI3-08157
  • Alcohol(C6)
  • Amylcarbinol
  • BRN 0969167
  • C6 alcohol
  • Caproic alcohol
  • Caproyl alcohol
  • Caswell No. 482E
  • EC 203-852-3
  • EINECS 203-852-3
  • EPA Pesticide Chemical Code 079047
  • EPAL 6
  • Fatty alcohol(C6)
  • FEMA No. 2567
  • FEMA Number 2567
  • Hexanol
  • Hexanol (VAN)
  • Hexyl alcohol
  • Hexyl alcohol (natural)
  • HSDB 565
  • n-Hexan-1-ol
  • n-Hexanol
  • n-Hexyl alcohol
  • NSC 9254
  • Pentylcarbinol
  • UNII-6CP2QER8GS

Systematic Names

  • 1-Hexanol
  • Hexan-1-ol
  • Hexyl alcohol

Superlist Names

  • 1-Hexanol
  • Hexanol
  • Hexyl alcohol
  • n-Hexyl alcohol

Registry Numbers

CAS Registry Number

  • 111-27-3

FDA UNII

  • 6CP2QER8GS

Other Registry Number

  • 220713-27-9

Related Registry Number

  • 23275-26-5 (aluminum salt)

System Generated Number

  • 0000111273

Structure Descriptors

InChI

1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Smiles

CCCCCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC inhalation > 1060ppm/6H (1060ppm)   Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975.
mammal (species unspecified) LD50 unreported 2442mg/kg (2442mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC inhalation > 1060ppm/6H (1060ppm)   Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975.
mouse LD50 intravenous 103mg/kg (103mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse LD50 oral 1950mg/kg (1950mg/kg)   Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966.
rabbit LD50 skin 3100uL/kg (3.1mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD inhalation > 1060ppm/6H (1060ppm)   Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975.
rat LD50 oral 720mg/kg (720mg/kg) BLOOD: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LIVER: FATTY LIVER DEGERATION
South African Medical Journal. Vol. 43, Pg. 795, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.46E+01 deg C   EXP
Boiling Point 157.6 deg C   EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 5900 mg/L 25 EXP
Vapor Pressure 0.928 mm Hg 25 EXP
Henry's Law Constant 1.71E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EXP

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