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Substance Name: Ethyl caprylate
RN: 106-32-1
UNII: 81C5MOP582
InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Name of Substance

  • Ethyl caprylate

Synonyms

  • 4-02-00-00987 (Beilstein Handbook Reference)
  • AI3-01977
  • BRN 1754470
  • Caprylic acid ethyl ester
  • EINECS 203-385-5
  • Ethyl caprylate
  • Ethyl n-octanoate
  • Ethyl octanoate
  • Ethyl octanoate (natural)
  • Ethyl octoate
  • Ethyl octylate
  • FEMA No. 2449
  • NSC 8898
  • Octanoic acid, ethyl ester
  • UNII-81C5MOP582

Systematic Names

  • Ethyl octanoate
  • Octanoic acid, ethyl ester

Superlist Names

  • Ethyl caprylate
  • Ethyl octanoate
  • Octanoic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 106-32-1

FDA UNII

  • 81C5MOP582

System Generated Number

  • 0000106321

Structure Descriptors

InChI

1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

InChIKey

YYZUSRORWSJGET-UHFFFAOYSA-N

Smiles

C(CCCCCCC)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 25960mg/kg (25960mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 763, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.31E+01 deg C   EXP
Boiling Point 208.5 deg C   EXP
log P (octanol-water) 3.810 (none)   EST
Water Solubility 70.1 mg/L 25 EXP
Vapor Pressure 0.211 mm Hg 25 EST
Henry's Law Constant 1.27E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.99E-12 cm3/molecule-sec 25 EST

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