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Substance Name: n-Hexane
RN: 110-54-3
UNII: 2DDG612ED8
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N

Molecular Formula

  • C6-H14

Molecular Weight

  • 86.1766
 

Classification Codes

Classification Codes

  • Adhesives
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (50 ppm); skin; BEI
  • TWA 500 ppm (1800 mg/m3)

Names and Synonyms

Name of Substance

  • Hexane
  • n-Hexane

Synonyms

  • AI3-24253
  • CCRIS 6247
  • Dipropyl
  • EC 203-777-6
  • EINECS 203-777-6
  • Esani
  • Esani [Italian]
  • Gettysolve-B
  • Heksan
  • Heksan [Polish]
  • Hexane
  • Hexanen
  • Hexanen [Dutch]
  • Hexyl hydride
  • HSDB 91
  • NCI-C60571
  • NSC 68472
  • Skellysolve B
  • UNII-2DDG612ED8

Systematic Names

  • Hexane
  • n-Hexane

Superlist Names

  • Hexane
  • Hexanes
  • Hexanes [UN1208] [Flammable liquid]
  • n-Hexane
  • UN1208

Registry Numbers

CAS Registry Number

  • 110-54-3

FDA UNII

  • 2DDG612ED8

Other Registry Number

  • 8031-34-3

System Generated Number

  • 0000110543

Structure Descriptors

InChI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

InChIKey

VLKZOEOYAKHREP-UHFFFAOYSA-N

Smiles

C(CCC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 190ppm/8W (190ppm) PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATH American Journal of Industrial Medicine. Vol. 10, Pg. 111, 1986.
mouse LCLo inhalation 120gm/m3 (120000mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929.
mouse LDLo intravenous 831mg/kg (831mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rabbit LDLo intravenous 132mg/kg (132mg/kg)   Haematologica. Vol. 58, Pg. 491, 1973.
rat LC50 inhalation 48000ppm/4H (48000ppm)   Annual Review of Pharmacology and Toxicology. Vol. 22, Pg. 145, 1982.
rat LD50 oral 25gm/kg (25000mg/kg)   Industrial Health. Vol. 32, Pg. 145, 1994.
rat LDLo intraperitoneal 9100mg/kg (9100mg/kg)   Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.53E+01 deg C   EXP
Boiling Point 68.7 deg C   EXP
log P (octanol-water) 3.9 (none)   EXP
Water Solubility 9.5 mg/L 25 EXP
Vapor Pressure 151 mm Hg 25 EXP
Henry's Law Constant 1.800 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.61E-12 cm3/molecule-sec 25 EXP

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