Ethyl 2-acetylcaprylate CAS#: 29214-60-6

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

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.

Synthesis Reference(s)

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

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