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W244910

Ethyl octanoate

Name: Ethyl octanoate
Brand: ALDRICH

natural, ≥98%, FCC, FG

Synonym(s):

Ethyl caprylate

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About This Item

Linear Formula:

CH₃(CH₂)₆COOC₂H₅

CAS Number:

106-32-1

Molecular Weight:

172.26

FEMA Number:

2449

Council of Europe no.:

392c

UNSPSC Code:

12164502

PubChem Substance ID:

24901096

Flavis number:

9.111

EC Number:

203-385-5

NACRES:

NA.21

MDL number:

MFCD00009552

Beilstein/REAXYS Number:

1754470

Organoleptic:

banana; fruity; floral; pineapple

Grade:

FG, Halal, Kosher, natural

Agency:

meets purity specifications of JECFA

Food allergen:

no known allergens

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Properties

Quality Level

300, 400

grade

FG, Halal, Kosher, natural

agency

meets purity specifications of JECFA

reg. compliance

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

vapor pressure

0.02 mmHg ( 25 °C)

assay

≥98%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.417 (lit.)

bp

206-208 °C (lit.)

mp

−48-−47 °C (lit.)

solubility

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

density

0.867 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

greener alternative category

DfS-Developed

organoleptic

banana; fruity; floral; pineapple

SMILES string

CCCCCCCC(=O)OCC

InChI

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

InChI key

YYZUSRORWSJGET-UHFFFAOYSA-N

Description

General description

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.

We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

Application

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.

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Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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