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Substance Name: Ethyl oenanthate
RN: 106-30-9
UNII: 45R404Y5X8
InChIKey: TVQGDYNRXLTQAP-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.2392
 
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Names and Synonyms

Name of Substance

  • Ethyl oenanthate

Synonyms

  • 4-02-00-00960 (Beilstein Handbook Reference)
  • Aether oenanthicus
  • AI3-24251
  • BRN 1752311
  • CCRIS 1344
  • Cognac oil
  • EINECS 203-382-9
  • Enanthylic ether
  • Ethyl enanthate
  • Ethyl heptanoate
  • Ethyl heptanoate (natural)
  • Ethyl heptoate
  • Ethyl heptylate
  • Ethyl n-heptanoate
  • Ethyl oenanthate
  • Ethyl oenanthylate
  • FEMA No. 2437
  • Grape oil
  • NSC 8891
  • Oenanthic ether
  • Oleum vitis viniferae
  • UNII-45R404Y5X8
  • Wine oil

Systematic Names

  • Ethyl enantate
  • Ethyl heptanoate
  • Heptanoic acid, ethyl ester

Superlist Name

  • Ethyl heptanoate

Registry Numbers

CAS Registry Number

  • 106-30-9

FDA UNII

  • 45R404Y5X8

System Generated Number

  • 0000106309

Structure Descriptors

InChI

1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

InChIKey

TVQGDYNRXLTQAP-UHFFFAOYSA-N

Smiles

C(CCCCCC)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 19, Pg. 247, 1981.
rat LD50 oral > 34640mg/kg (34640mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.61E+01 deg C   EXP
Boiling Point 187 deg C   EXP
log P (octanol-water) 3.320 (none)   EST
Water Solubility 290 mg/L 25 EXP
Vapor Pressure 0.68 mm Hg 25 EXP
Henry's Law Constant 4.99E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.57E-12 cm3/molecule-sec 25 EST

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