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Substance Name: Decyl acetate
RN: 112-17-4
UNII: VNW56K9DYT
InChIKey: NUPSHWCALHZGOV-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • Decyl acetate

Synonyms

  • 1-Decanol acetate
  • 1-Decyl acetate
  • Acetate C 10
  • Acetic acid, decyl ester
  • AI3-11098
  • Decanyl acetate
  • Decyl acetate
  • Decyl alcohol, acetate (6CI)
  • Decyl ethanoate
  • EINECS 203-942-2
  • FEMA No. 2367
  • n-Decyl acetate
  • n-Decyl ethanoate
  • NSC 46131
  • UNII-VNW56K9DYT

Systematic Names

  • Acetic acid, decyl ester
  • Decyl acetate

Superlist Name

  • Decyl acetate

Registry Numbers

CAS Registry Number

  • 112-17-4

FDA UNII

  • VNW56K9DYT

System Generated Number

  • 0000112174

Structure Descriptors

InChI

1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3

InChIKey

NUPSHWCALHZGOV-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)COC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13(Suppl.), Pg. 689, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13(Suppl.), Pg. 689, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
Boiling Point 244 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Water Solubility 3.520 mg/L 25 EST
Vapor Pressure 0.00347 mm Hg   EXP
Henry's Law Constant 2.25E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-11 cm3/molecule-sec 25 EST

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