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Substance Name: Cetyl acetate
RN: 629-70-9
UNII: 4Q43814HXS
InChIKey: LSTDYDRCKUBPDI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C18-H36-O2

Molecular Weight

  • 284.48
 
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Names and Synonyms

Name of Substance

  • 1-Hexadecanol, acetate
  • Cetyl acetate

Synonyms

  • 1-Acetoxyhexadecane
  • 1-Hexadecanol, acetate
  • 4-02-00-00171 (Beilstein Handbook Reference)
  • Acetic acid, hexadecyl ester
  • AI3-01025
  • BRN 1782695
  • Cetyl acetate
  • EINECS 211-103-7
  • ENT 1025
  • Hexadecyl acetate
  • n-Hexadecyl ethanoate
  • NSC 8492
  • Palmityl acetate
  • UNII-4Q43814HXS

Systematic Names

  • 1-Hexadecanol, 1-acetate
  • 1-Hexadecanol, acetate
  • Hexadecyl acetate

Superlist Name

  • 1-Hexadecanol acetate

Registry Numbers

CAS Registry Number

  • 629-70-9

FDA UNII

  • 4Q43814HXS

System Generated Number

  • 0000629709

Structure Descriptors

InChI

1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3

InChIKey

LSTDYDRCKUBPDI-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCC)CCCCOC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 663, 1983.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 663, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.85E+01 deg C   EXP
log P (octanol-water) 7.740 (none)   EST
Atmospheric OH Rate Constant 2.16E-11 cm3/molecule-sec 25 EST

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