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Merck
CN

W242802

Ethyl isobutyrate

≥98%, FCC, FG

Synonym(s):

Ethyl 2-methylpropanoate

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About This Item

Linear Formula:
(CH3)2CHCOOC2H5
CAS Number:
97-62-1
Molecular Weight:
116.16
FEMA Number:
2428
Council of Europe no.:
288
UNSPSC Code:
12164502
PubChem Substance ID:
24901068
Flavis number:
9.413
EC Number:
202-595-4
NACRES:
NA.21
MDL number:
MFCD00009165
Beilstein/REAXYS Number:
773846
Organoleptic:
ethereal; fruity; sweet
Grade:
FG
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

Ethyl isobutyrate, ≥98%, FCC, FG

SMILES string

CCOC(=O)C(C)C

InChI

1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3

InChI key

WDAXFOBOLVPGLV-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

4.01 (vs air)

vapor pressure

40 mmHg ( 33.8 °C)

assay

≥98%

refractive index

n20/D 1.387 (lit.)

bp

112-113 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

ethereal; fruity; sweet

Quality Level

300
400

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General description

Ethyl isobutyrate is a potent odorant in oranges, grapefruit, and Greek virgin olive oils.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

68.0 °F - closed cup

flash_point_c

20 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ6812
SHBQ1893
SHBN7092
SHBN7091
SHBN3834

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Evaluation of key aroma compounds in hand-squeezed grapefruit juice (Citrus paradisi Macfayden) by quantitation and flavor reconstitution experiments.
Buettner A & Schieberle P.
Journal of Agricultural and Food Chemistry, 49(3), 1358-1363 (2001)
Evaluation of aroma differences between hand-squeezed juices from Valencia late and Navel oranges by quantitation of key odorants and flavor reconstitution experiments.
Buettner A & Schieberle P.
Journal of Agricultural and Food Chemistry, 49(5), 2387-2394 (2001)
Evaluation and quantification of potent odorants of Greek virgin olive oils.
Blekas G & Guth H.
Developments in food science, 37, 419-427 (1995)
Philippe Renault et al.
International journal of food microbiology, 207, 40-48 (2015-05-24)
The aim of this work was to study ester formation and the aromatic impact of Torulaspora delbrueckii when used in association with Saccharomyces cerevisiae during the alcoholic fermentation of must. In order to evaluate the influence of the inoculation procedure
Amélie Slegers et al.
Molecules (Basel, Switzerland), 20(6), 10980-11016 (2015-06-18)
Developed from crosses between Vitis vinifera and North American Vitis species, interspecific hybrid grape varieties are becoming economically significant in northern areas, where they are now extensively grown for wine production. However, the varietal differences between interspecific hybrids are not
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