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Safety Information

W246301

Sigma-Aldrich

Ethyl isovalerate

≥98%, FCC, FG

Synonym(s):

3-methyl butanoic acid ethyl ester, Ethyl 3-methyl butyrate, Ethyl 3-methylbutanoate

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About This Item

Linear Formula:
(CH3)2CHCH2COOC2H5
CAS Number:
108-64-5
Molecular Weight:
130.18
FEMA Number:
2463
Beilstein:
1744677
EC Number:
203-602-3
Council of Europe no.:
442
MDL number:
MFCD00009203
UNSPSC Code:
12164502
eCl@ss:
39022323
PubChem Substance ID:
24901110
Flavis number:
9.447
NACRES:
NA.21
Organoleptic:
apple; fruity; pineapple; sweet
grade:
FG
Fragrance grade
Halal
Kosher
biological source:
synthetic
Agency:
(EU Regulation 1223/2009)
 (follows IFRA guidelines)
meets purity specifications of JECFA
food allergen:
no known allergens

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

(EU Regulation 1223/2009)
 (follows IFRA guidelines)
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

fragrance 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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General description

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

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W246301-20KG:
W246301-1KG-K:
W246301-4KG:
W246301-SAMPLE:
W246301-1KG:
W246301-4KG-K:
W246301-SAMPLE-K:
W246301-VAR-K:
W246301-20KG-K:
W246301-BULK-K:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP0490
SHBN1778
SHBM5818
SHBM5817
SHBL9771

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Chemical Studies of Pineapple (Ananas sativus Lindl). I. The Volatile Flavor and Odor Constituents of Pineapple1
Haagen-Smit AJ, et al.
Journal of the American Chemical Society, 10, 1646-1650 (1945)
Optimization of solid-phase microextraction analysis for studying the change of headspace flavor compounds of banana during ripening
Liu TT & Yang TS
Journal of Agricultural and Food Chemistry, 50(4), 653-657 (2002)
Pascal Fuchsmann et al.
Journal of chromatography. A, 1601, 60-70 (2019-06-11)
Headspace in-tube extraction (HS-ITEX) and solid phase microextraction (HS-SPME) sampling, followed by gas chromatography-mass spectrometry (GC-MS), are widely used to analyze volatile compounds in various food matrices. While the extraction efficiency of volatile compounds from foodstuffs is crucial for obtaining
David A Camarena-Pozos et al.
Plant, cell & environment, 42(4), 1368-1380 (2018-11-01)
The plant microbiota can affect host fitness via the emission of microbial volatile organic compounds (mVOCs) that influence growth and development. However, evidence of these molecules and their effects in plants from arid ecosystems is limited. We screened the mVOCs
Johannes Niebler et al.
Phytochemistry, 109, 66-75 (2014-12-04)
Frankincense has been known, traded and used throughout the ages for its exceptional aroma properties, and is still commonly used in both secular and religious settings to convey a pleasant odor. Surprisingly, the odoriferous principle(s) underlying its unique odor profile
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