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Substance Name: 3-Pentanone
RN: 96-22-0
UNII: 9SLZ98M9NK
InChIKey: FDPIMTJIUBPUKL-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O

Molecular Weight

  • 86.133
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (200 ppm); STEL (300 ppm)

Names and Synonyms

Name of Substance

  • 3-Pentanone
  • Diethyl ketone

Synonyms

  • AI3-24337
  • DEK
  • Diethyl ketone
  • Diethylcetone
  • Diethylcetone [French]
  • Dimethylacetone
  • EC 202-490-3
  • EINECS 202-490-3
  • Ethyl ketone
  • Ethyl propionyl
  • HSDB 5301
  • Metacetone
  • Methacetone
  • NSC 8653
  • Pentanone-3
  • Propione
  • UNII-9SLZ98M9NK

Systematic Names

  • 3-Pentanone
  • Pentan-3-one

Superlist Names

  • 3-Pentanone
  • Diethyl ketone
  • Diethyl ketone [UN1156] [Flammable liquid]
  • UN1156

Registry Numbers

CAS Registry Number

  • 96-22-0

FDA UNII

  • 9SLZ98M9NK

System Generated Number

  • 0000096220

Structure Descriptors

InChI

1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChIKey

FDPIMTJIUBPUKL-UHFFFAOYSA-N

Smiles

CCC(=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 513mg/kg (513mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
mouse LD50 oral 3100mg/kg (3100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA
Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (4), Pg. 41, 1997.
rabbit LD50 skin 20mL/kg (20mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2140mg/kg (2140mg/kg)   Union Carbide Data Sheet. Vol. 4/25/1958,
rat LDLo intraperitoneal 1250mg/kg (1250mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.90E+01 deg C   EXP
Boiling Point 101.9 deg C   EXP
log P (octanol-water) 0.99 (none)   EXP
Water Solubility 4.81E+04 mg/L 25 EXP
Vapor Pressure 37.7 mm Hg 25 EXP
Henry's Law Constant 8.88E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EXP

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