Basic information Aroma Uses in Perfume Safety Supplier Related

Ethyl 2-acetylcaprylate

Basic information Aroma Uses in Perfume Safety Supplier Related

Ethyl 2-acetylcaprylate Basic information

Product Name:
Ethyl 2-acetylcaprylate
Synonyms:
  • 2-Acetyloctanoicacidethylester
  • 2-acetyl-octanoicaciethylester
  • ethyl2-acetylcaprylate
  • ethyl2-acetyloctanoate
  • ethylalpha-hexylacetoacetate
  • hexylacetoaceticacidethylester
  • Octanoicacid,2-acetyl-,ethylester
  • 2-ACETYL-N-OCTANOIC ACID ETHYL ESTER
CAS:
29214-60-6
MF:
C12H22O3
MW:
214.3
EINECS:
249-518-0
Mol File:
29214-60-6.mol
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Ethyl 2-acetylcaprylate Chemical Properties

Boiling point:
149 °C / 25mmHg
Density 
0.94
refractive index 
1.4320 to 1.4360
FEMA 
4459 | ETHYL 2-ACETYLOCTANOATE
pka
11.89±0.59(Predicted)
form 
clear liquid
color 
A colourless slightly oily liquid.
Odor
at 100.00 %. methyl dihydrojasmonate fruity jasmin waxy herbal
Odor Type
floral
JECFA Number
1958
LogP
3.72
CAS DataBase Reference
29214-60-6(CAS DataBase Reference)
EPA Substance Registry System
Octanoic acid, 2-acetyl-, ethyl ester (29214-60-6)
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Safety Information

RTECS 
RH0352500
HS Code 
2918.30.9000
Toxicity
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Shelanski, 1973).
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Ethyl 2-acetylcaprylate Usage And Synthesis

Aroma

Oily-herbaceous, somewhat winey odor with distinctly green-herbal notes, reminiscent of undertones in Jasmin complex.

Uses in Perfume

Ethyl 2-acetylcaprylate has found some use in perfume compositions, mainly as an ingredient in Jasmin bases, occasionally in other floral bases where the green-winey-herbaceous and fresh ethereal note may be desirable.

Physical properties

Colorless slightly oily liquid. Very slightly soluble in water, soluble in akohol, miscible with oils.

Occurrence

Has apparently not been reported to occur in nature.

Preparation

By the alkylation of ethyl acetoacetate with hexyl bromide or by any other suitable method. Uses: In public use since the 1950s. Use in fragrances in the USA amounts to approximately 10001b/yr.

Production Methods

Ethyl 2-acetylcaprylate can be produced by condensation of Ethyl acetate and Hexyl acetate, using Sodium ethoxide catalyst.

Synthesis Reference(s)

Journal of the American Chemical Society, 64, p. 580, 1942 DOI: 10.1021/ja01255a035

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