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Substance Name: 3-Heptanone
RN: 106-35-4
UNII: 10GA6SR3AT
InChIKey: NGAZZOYFWWSOGK-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.1866
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (50 ppm); STEL (75 ppm)
  • TWA 50 ppm (230 mg/m3)
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Names and Synonyms

Name of Substance

  • 3-Heptanone
  • Ethyl-n-butyl ketone

Synonyms

  • 4-01-00-03321 (Beilstein Handbook Reference)
  • Aethylbutylketon
  • Aethylbutylketon [German]
  • AI3-19684
  • BRN 0506161
  • Butyl ethyl ketone
  • EINECS 203-388-1
  • Eptan-3-one
  • Eptan-3-one [Italian]
  • Ethyl butyl ketone
  • Ethyl n-butyl ketone
  • Ethylbutylcetone
  • Ethylbutylcetone [French]
  • Ethylbutylketon
  • Ethylbutylketon [Dutch]
  • Etilbutilchetone
  • Etilbutilchetone [Italian]
  • FEMA No. 2545
  • Heptan-3-on
  • Heptan-3-on [Dutch, German]
  • Heptan-3-one
  • HSDB 1816
  • n-Butyl ethyl ketone
  • NSC 8448
  • UNII-10GA6SR3AT

Systematic Name

  • 3-Heptanone

Superlist Names

  • 3-Heptanone
  • Ethyl butyl ketone
  • Ethyl butyl ketone 3-Heptanone

Registry Numbers

CAS Registry Number

  • 106-35-4

FDA UNII

  • 10GA6SR3AT

System Generated Number

  • 0000106354

Structure Descriptors

InChI

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

InChIKey

NGAZZOYFWWSOGK-UHFFFAOYSA-N

Smiles

C(CCCC)(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 3/12/1969,
rat LCLo inhalation 2000ppm/4H (2000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 2760mg/kg (2760mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.90E+01 deg C   EXP
Boiling Point 147 deg C   EXP
log P (octanol-water) 1.730 (none)   EST
Water Solubility 4300 mg/L 20 EXP
Vapor Pressure 2.6 mm Hg 20 EXP
Henry's Law Constant 9.08E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.89E-12 cm3/molecule-sec 25 EST

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