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Merck
CN

W244910

Ethyl octanoate

greener alternative

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

Key Documents

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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

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General description

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".
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.

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.

pictograms

Environment
GHS09

hcodes

H411

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBT5901
SHBT3913
SHBR9110
SHBR4465
SHBR1659

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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)
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
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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Global Trade Item Number

SKUGTIN
W244910-100G-K04061837876783
W244910-4KG-K04061837876806
W244910-SAMPLE-K04061837876813
W244910-1KG-K04061837876790

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