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Substance Name: 5-Methyl-2-hexanone
RN: 110-12-3
UNII: 6O4A4A5F28
InChIKey: FFWSICBKRCICMR-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.1866
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Skin / Eye Irritant
  • Unspecified / Unclassified Pesticide

Superlist Classification Codes

  • TWA (50 ppm)
  • TWA 100 ppm (475 mg/m3)
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Names and Synonyms

Name of Substance

  • 5-Methyl-2-hexanone
  • Methyl isoamyl ketone

Synonyms

  • 2-Hexanone, 5-methyl-
  • 2-Methyl-5-hexanone
  • 4-01-00-03329 (Beilstein Handbook Reference)
  • 5-Methyl-2-hexanone
  • BRN 0506163
  • EC 203-737-8
  • EINECS 203-737-8
  • HSDB 2885
  • Isoamyl methyl ketone
  • Isopentyl methyl ketone
  • Ketone, methyl isoamyl
  • Methyl isoamyl ketone
  • Methyl isopentyl ketone
  • MIAK
  • UNII-6O4A4A5F28

Systematic Names

  • 2-Hexanone, 5-methyl-
  • 5-Methylhexan-2-one

Superlist Names

  • 2-Hexanone, 5-methyl-
  • 5-Methyl-2-hexanone
  • 5-Methylhexan-2-one
  • 5-Methylhexan-2-one [UN2302] [Flammable liquid]
  • Methyl isoamyl ketone
  • UN2302

Registry Numbers

CAS Registry Number

  • 110-12-3

FDA UNII

  • 6O4A4A5F28

System Generated Number

  • 0000110123

Structure Descriptors

InChI

1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

InChIKey

FFWSICBKRCICMR-UHFFFAOYSA-N

Smiles

C(CCC(C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD skin > 20mL/kg (20mL/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379,
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379,
mouse LD50 oral 2542mg/kg (2542mg/kg)   Toxicology Letters. Vol. 30, Pg. 13, 1986.
rabbit LD50 skin 10mL/kg (10mL/kg)   Union Carbide Data Sheet. Vol. 8/7/1963,
rat LC50 inhalation 3813ppm/6H (3813ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379,
rat LD50 oral 3200mg/kg (3200mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379,
rat LDLo intraperitoneal 400mg/kg (400mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.40E+01 deg C   EXP
Boiling Point 144 deg C   EXP
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 5400 mg/L 25 EXP
Vapor Pressure 5.77 mm Hg 25 EXP
Henry's Law Constant 1.60E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.03E-11 cm3/molecule-sec 25 EXP

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