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Substance Name: 2-Heptanone
RN: 110-43-0
UNII: 89VVP1B008
InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.1866
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (50 ppm)
  • TWA 100 ppm (465 mg/m3)
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Names and Synonyms

Name of Substance

  • 2-Heptanone

Synonyms

  • 2-Heptanone
  • 2-Heptanone (natural)
  • 4-01-00-03318 (Beilstein Handbook Reference)
  • AI3-01230
  • Amyl methyl ketone
  • Amyl-methyl-cetone
  • Amyl-methyl-cetone [French]
  • BRN 1699063
  • Butylacetone
  • CCRIS 8809
  • EC 203-767-1
  • EINECS 203-767-1
  • FEMA No. 2544
  • FEMA Number 2544
  • HSDB 1122
  • Ketone C-7
  • Ketone, methyl pentyl
  • Methyl amyl ketone
  • Methyl n-amyl ketone
  • Methyl n-pentyl ketone
  • Methyl pentyl ketone
  • Methyl-amyl-cetone
  • Methyl-amyl-cetone [French]
  • Methyl-n-amylketone
  • n-Amyl methyl ketone
  • n-Pentyl methyl ketone
  • NSC 7313
  • Pentyl methyl ketone
  • UNII-89VVP1B008

Systematic Names

  • 2-Heptanone
  • Heptan-2-one

Superlist Names

  • 2-Heptanone
  • Amyl methyl ketone
  • Methyl amyl ketone
  • Methyl n-amyl ketone
  • n-Amyl methyl ketone [UN1110] [Flammable liquid]
  • UN1110

Registry Numbers

CAS Registry Number

  • 110-43-0

FDA UNII

  • 89VVP1B008

System Generated Number

  • 0000110430

Structure Descriptors

InChI

InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

InChIKey

CATSNJVOTSVZJV-UHFFFAOYSA-N

Smiles

CCCCCC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4757, 1982.
mouse LD50 oral 730mg/kg (730mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962.
rabbit LD50 skin 12600uL/kg (12.6mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 4000ppm/4H (4000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4757, 1982.
rat LD50 oral 1670mg/kg (1670mg/kg)   Union Carbide Data Sheet. Vol. 8/11/1958,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.50E+01 deg C   EXP
Boiling Point 151 deg C   EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 4300 mg/L 25 EXP
Vapor Pressure 3.86 mm Hg 25 EXP
Henry's Law Constant 1.69E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.17E-11 cm3/molecule-sec 25 EXP

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