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W246301

Sigma-Aldrich

Ethyl isovalerate

≥98%, FCC, FG

Synonym(s):
3-methyl butanoic acid ethyl ester, Ethyl 3-methyl butyrate, Ethyl 3-methylbutanoate
Linear Formula:
(CH3)2CHCH2COOC2H5
CAS Number:
Molecular Weight:
130.18
FEMA Number:
2463
Beilstein:
1744677
EC Number:
Council of Europe no.:
442
MDL number:
eCl@ss:
39022323
PubChem Substance ID:
Flavis number:
9.447
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

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

vapor pressure

7.5 mmHg ( 20 °C)

Assay

≥98%

refractive index

n20/D 1.396 (lit.)

bp

131-133 °C (lit.)

mp

−99 °C (lit.)

density

0.864 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

apple; fruity; pineapple; sweet

SMILES string

CCOC(=O)CC(C)C

InChI

1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3

InChI key

PPXUHEORWJQRHJ-UHFFFAOYSA-N

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Ethyl isovalerate ≥98%, FCC, FG

Sigma-Aldrich

W246301

Ethyl isovalerate

Ethyl hexanoate ≥98%, FCC, FG

Sigma-Aldrich

W243906

Ethyl hexanoate

Ethyl valerate ≥98%, FG

Sigma-Aldrich

W246204

Ethyl valerate

Ethyl isovalerate natural, ≥98%, FCC, FG

Sigma-Aldrich

W246328

Ethyl isovalerate

biological source

synthetic

biological source

synthetic

biological source

synthetic

biological source

-

grade

FG, Halal, Kosher

grade

FG, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

assay

≥98%

assay

≥98%

assay

≥98%

assay

≥98%

refractive index

n20/D 1.396 (lit.)

refractive index

n20/D 1.407 (lit.)

refractive index

n20/D 1.401 (lit.)

refractive index

n20/D 1.396 (lit.)

bp

131-133 °C (lit.)

bp

168 °C (lit.)

bp

144-145 °C (lit.)

bp

131-133 °C (lit.)

General description

Ethyl isovalerate is a flavor ester that occurs naturally in fruits such as pineapple, banana etc.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

80.6 °F - closed cup

Flash Point(C)

27 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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