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Chemical Properties

CAS Registry Number: 111-27-3

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • 1-hexanol
  • Hexanol
  • n-Hexanol

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 111-27-3 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • 1-Hexanol
  • 1-Hexyl alcohol
  • 1-Hydroxyhexane
  • 4-01-00-01694 (Beilstein Handbook Reference)
  • Alcohol(C6)
  • Amylcarbinol
  • BRN 0969167
  • Caproyl alcohol
  • EPAL 6
  • FEMA Number 2567
  • HSDB 565
  • Hexanol
  • Hexyl alcohol
  • Pentylcarbinol
  • n-Hexan-1-ol
  • n-Hexanol
  • n-Hexyl alcohol

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Other Registry Numbers2

  • 220713-27-9

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Chemical Properties3

Property Description
Boiling Point
  • 157 deg C at 760 mm Hg
Color/Form
  • Colorless liquid
Corrosivity
  • None Found
Critical Temperature & Pressure
  • Critical temp = 611.35 K; Critical pressure = 3.51X10+6 Pa
Density/Specific Gravity
  • 0.8153 at 25 deg C/4 deg C; 0.8082 at 35 deg C/4 deg C
Dissociation Constants
  • None Found
Heat Of Combustion
  • -951.86 kcal/mole at 25 deg C
Heat Of Vaporization
  • 14.78 kcal/mole at 25 deg C
Melting Point
  • -44.6 deg C
Molecular Weight
  • 102.18
Odor
  • Characteristic; sweet alcohol; pleasant
Other Chemical/Physical Properties
  • Boiling points at various pressures.
    Temperature, deg C Pressure, mm Hg
    138 400
    119.6 200
    102.8 100
    92 60
    83.87 40
    70.3 20
    58.2 10
    47.2 5
    24.4 1.0
  • Bulk density = 6.8 lb/gal
  • Heat capacity = 57.68 cal/K-mol
  • Heat of combustion = -3.6744X10+9 J/kmol
  • Heat of formation = -3.1756X10+8 J/kmol
  • Heat of fusion = 1.5397X10+7 J/kmol
  • Henry's Law constant = 1.71X10-5 atm-cu m/mole at 25 deg C
  • Hydroxyl radical reaction rate constant = 1.25X10-11 cu cm/molec-sec at 25 deg C
  • Liquid molar volume = 0.125214 cu m/kmol
Relative Evaporation Rate
  • 0.05 (butyl acetate = 1)
Solubilities
  • In water, 5,900 mg/L at 25 deg C
  • Sol in ethanol, acetone, chloroform; miscible with ether, benzene; slightly soluble in carbon tetrachloride
Spectral Properties
  • 1H NMR: 198 (Sadtler Research Laboratories Spectral Collection)
  • IR: 4808 (Coblentz Society Spectral Collection)
  • Index of refraction = 1.4162 at 25 deg C/4 deg C
  • MASS: 39197 (NITS/EPA/MSDC Mass Spectral database, 1990 version); 176 (National Bureau of Standards)
  • Raman: 607 (Sadtler Research Laboratories Spectral Collection)
  • SADTLER REFERENCE NUMBER: 4064 (IR, PRISM)
Surface Tension
  • 25.73 dyne/cm at 25.20 deg C
Taste
  • AROMATIC FLAVOR
  • FATTY, FRUITY
Vapor Density
  • 3.5 (Air = 1)
Vapor Pressure
  • 0.928 mm Hg at 25 deg C
Viscosity
  • 0.592 cP at 25 deg C
log P (octanol-water)
  • log Kow = 2.03
pH
  • None Found

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Uses3

  • /SRP67: Former Use/ Insecticide, Herbicide **PEER REVIEWED**
  • /Used/ in non-alcoholic beverages at 6.6 ppm; ice cream, ices, etc. 26 ppm; candy 21 ppm; baked goods 6.6 ppm; and gelatins and puddings 0.28 ppm. **PEER REVIEWED**
  • Chemical int for phthalate, trimellitate, azelate and adipate plasticizers **PEER REVIEWED**
  • For 1-Hexanol (USEPA/OPP Pesticide Code: 079047) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./ **PEER REVIEWED**
  • Manufacture antiseptics, hypnotics **PEER REVIEWED**
  • Mesh Heading: Anesthetics, Nicotinic antagonists **PEER REVIEWED**
  • Mixtures of 1-hexanol and 1-octanol serve as frothing agents (bubbling promoters) in flotation, e.g., of coal. Large amounts are added to aqueous drilling muds to prevent frothing during drilling for oil and gas. /Mixtures of 1-hexanol and 1-octanol/ **PEER REVIEWED**
  • Pharmaceuticals (introduction of hexyl group into hyponics, antiseptics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents. **PEER REVIEWED**
  • Solvent, specialty ethoxylate intermediate, defoamer, and food additive **PEER REVIEWED**
  • Synthetic flavoring ingredient **PEER REVIEWED**
  • The active ingredient is no longer contained in any registered pesticide products ... "cancelled." **PEER REVIEWED**
  • Used as a solvent, as a basic material for the perfume industry, and for the production of plasticizers (in this case usually as a mixture with higher n-alcohols). **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • None Found.

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Superlist Classes2

  • None Found

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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