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Substance Name: Undecyl acetate
RN: 1731-81-3
UNII: 70Z4PZ8M0S
InChIKey: CKQGCFFDQIFZFA-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.346
 
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Names and Synonyms

Name of Substance

  • Undecyl acetate

Synonyms

  • AI3-24138
  • EINECS 217-051-1
  • Undecyl acetate
  • UNII-70Z4PZ8M0S

Systematic Names

  • 1-Undecanol, acetate
  • Undecyl acetate

Registry Numbers

CAS Registry Number

  • 1731-81-3

FDA UNII

  • 70Z4PZ8M0S

System Generated Number

  • 0001731813

Structure Descriptors

InChI

1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3

InChIKey

CKQGCFFDQIFZFA-UHFFFAOYSA-N

Smiles

C(CCCCCCCCC)COC(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.280 (none)   EST
Water Solubility 1.130 mg/L 25 EST
Vapor Pressure 0.012 mm Hg 25 EST
Henry's Law Constant 2.98E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-11 cm3/molecule-sec 25 EST

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