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W244910

Sigma-Aldrich

Ethyl octanoate

natural, ≥98%, FCC, FG

Sinônimo(s):

Ethyl caprylate

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About This Item

Fórmula linear:
CH3(CH2)6COOC2H5
Número CAS:
Peso molecular:
172.26
Número FEMA:
2449
Beilstein:
1754470
Número CE:
Conselho da Europa nº:
392c
Número MDL:
Código UNSPSC:
12164502
ID de substância PubChem:
Número de Flavis:
9.111
NACRES:
NA.21
Organoléptico:
banana; fruity; floral; pineapple
grau:
FG
Halal
Kosher
natural
Agency:
meets purity specifications of JECFA
alérgeno alimentar:
no known allergens

grau

FG
Halal
Kosher
natural

Nível de qualidade

Agency

meets purity specifications of JECFA

conformidade reg.

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117

pressão de vapor

0.02 mmHg ( 25 °C)

Ensaio

≥98%

índice de refração

n20/D 1.417 (lit.)

p.e.

206-208 °C (lit.)

pf

−48-−47 °C (lit.)

solubilidade

ethanol: soluble 1ml/4ml, clear, colorless (70% ethanol)

densidade

0.867 g/mL at 20 °C (lit.)

aplicação(ões)

flavors and fragrances

Documentação

see Safety & Documentation for available documents

alérgeno alimentar

no known allergens

Organoléptico

banana; fruity; floral; pineapple

cadeia de caracteres SMILES

CCCCCCCC(=O)OCC

InChI

1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

chave InChI

YYZUSRORWSJGET-UHFFFAOYSA-N

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Descrição geral

Ethyl octanoate is an ethyl ester. It is an aroma active compound and is mainly responsible for the aroma of durian juices and wines. Its odor activity value (OAV) has been measured. It has been identified as an odor active compound present in the young monovarietal red wines prepared from various grape species.

Aplicação

Ethyl octanoate is suitaible reagent used as standard for the measurement of flavor-active compounds by gas chromatography. It may be employed as acyl donor in acyl transfer reactions catalyzed by Candida antarctica lipase B in organic media and in lipase catalyzed acyl transfer reaction with 2-octanol as acyl acceptor.
Ethyl octanoate may be employed as acyl donor in the Candida antarctica lipase B catalyzed acyl transfer reactions. Reaction mechanism and kinetics of these reactions have been studied.

Pictogramas

Environment

Frases de perigo

Declarações de precaução

Classificações de perigo

Aquatic Chronic 2

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

167.0 °F - closed cup

Ponto de fulgor (°C)

75 °C - closed cup

Equipamento de proteção individual

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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JianCai Zhu et al.
Journal of agricultural and food chemistry, 63(7), 1939-1947 (2015-01-27)
The study evaluated the effects of five different strains (GRE, RC212, Lalvin D254, CGMCC2.4, and CGMCC2.23) of the yeast Saccharomyces cerevisiae on the aromatic characteristics of fermented durian musts. In this work, 38 and 43 compounds in durian juices and
Thioethyl-, vinyl-, ethyl octanoate esters and octanoic acid as acyl donors in lipase catalysed acyl transfer reactions.
Ohrner N, et al.
Biocatalysis and Biotransformation, 9(1-4), 105-114 (1994)
Quantitative determination of the odorants of young red wines from different grape varieties.
Ferreira V, et al.
Journal of the Science of Food and Agriculture, 80(11), 1659-1667 (2000)
Carrier-free, continuous primary beer fermentation.
Pires EJ, et al.
Journal of the Institute of Brewing, 120(4), 500-506 (2014)
M Martinelle et al.
Biochimica et biophysica acta, 1251(2), 191-197 (1995-09-06)
The acyl transfer reactions catalysed by Candida antartica lipase B in organic media followed a bi-bi ping-pong mechanism, with competitive substrate inhibition by the alcohols used as acyl acceptors. The effect of organic solvents on Vm and Km was investigated.

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