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Substance Name: 2-Hexanone
RN: 591-78-6
UNII: 6QDY60NH6N
InChIKey: QQZOPKMRPOGIEB-UHFFFAOYSA-N

Note

  • An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.1598
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 72
  • 2011 CERCLA Priority List, Rank: 70
  • TWA (5 ppm); STEL (10 ppm); skin
  • TWA 100 ppm (410 mg/m3)

Names and Synonyms

Name of Substance

  • 2-Hexanone
  • Methyl butyl ketone
  • Methyl n-butyl ketone

MeSH Heading

  • Methyl n-butyl ketone

Synonyms

  • 2-Oxohexane
  • 4-01-00-03298 (Beilstein Handbook Reference)
  • BRN 1737676
  • Butyl methyl ketone
  • CCRIS 8810
  • EINECS 209-731-1
  • Hexanone-2
  • HSDB 543
  • Ketone, butyl methyl
  • MBK
  • Methyl butyl ketone
  • Methyl n-butyl ketone
  • n-Butyl methyl ketone
  • Propylacetone
  • UNII-6QDY60NH6N

Systematic Name

  • 2-Hexanone

Superlist Names

  • 2-Hexanone
  • 2-Hexanone Methyl n-butyl ketone
  • Butyl methyl ketone
  • Methyl butyl ketone
  • Methyl n-butyl ketone

Registry Numbers

CAS Registry Number

  • 591-78-6

FDA UNII

  • 6QDY60NH6N

System Generated Number

  • 0000591786

Structure Descriptors

InChI

1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

InChIKey

QQZOPKMRPOGIEB-UHFFFAOYSA-N

Smiles

C(C(=O)C)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 914mg/kg (914mg/kg)   Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974,
guinea pig LDLo oral 914mg/kg (914mg/kg)   Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974,
human TCLo inhalation 1000ppm (1000ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: HEADACHE

GASTROINTESTINAL: NAUSEA OR VOMITING
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.
mouse LD50 oral 2430mg/kg (2430mg/kg)   Toxicology Letters. Vol. 30, Pg. 13, 1986.
rabbit LD50 skin 4800mg/kg (4800mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.
rat LC50 inhalation 8000ppm/4H (8000ppm)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.
rat LD50 oral 2590mg/kg (2590mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 unreported 914mg/kg (914mg/kg)   Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974,
rat LDLo intraperitoneal 914mg/kg (914mg/kg)   Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.55E+01 deg C   EXP
Boiling Point 127.6 deg C   EXP
log P (octanol-water) 1.38 (none)   EXP
Water Solubility 1.75E+04 mg/L 20 EXP
Vapor Pressure 11.6 mm Hg 25 EXP
Henry's Law Constant 9.32E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.10E-12 cm3/molecule-sec 25 EXP

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