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Substance Name: Ethyl nonanoate
RN: 123-29-5
UNII: KSH683S98J
InChIKey: BYEVBITUADOIGY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • Ethyl nonanoate
  • Ethyl pelargonate
  • Nonanoic acid, ethyl ester

Synonyms

  • 4-02-00-01019 (Beilstein Handbook Reference)
  • AI3-13187
  • BRN 1759169
  • EINECS 204-615-7
  • Ethyl nonanoate
  • Ethyl nonanoate (natural)
  • Ethyl nonylate
  • Ethyl pelargonate
  • FEMA No. 2447
  • Nonanoic acid, ethyl ester
  • NSC 8901
  • UNII-KSH683S98J
  • Wine ether

Systematic Names

  • Ethyl nonanoate
  • Nonanoic acid, ethyl ester

Superlist Name

  • Ethyl nonanoate

Registry Numbers

CAS Registry Number

  • 123-29-5

FDA UNII

  • KSH683S98J

System Generated Number

  • 0000123295

Structure Descriptors

InChI

1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3

InChIKey

BYEVBITUADOIGY-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 24gm/kg (24000mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM

GASTROINTESTINAL: GASTRITIS
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral > 43gm/kg (43000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.67E+01 deg C   EXP
Boiling Point 227 deg C   EXP
log P (octanol-water) 4.300 (none)   EST
Water Solubility 29.5 mg/L 25 EXP
Vapor Pressure 0.080 mm Hg 25 EST
Henry's Law Constant 1.69E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-11 cm3/molecule-sec 25 EST

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