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W310212

Sigma-Aldrich

Isovaleric acid

greener alternative

natural, ≥98%, FG

Synonym(s):

3-Methylbutanoic acid, 3-Methylbutyric acid

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About This Item

Linear Formula:
(CH3)2CHCH2COOH
CAS Number:
503-74-2
Molecular Weight:
102.13
FEMA Number:
3102
Beilstein:
1098522
EC Number:
207-975-3
MDL number:
MFCD00002726
UNSPSC Code:
12164502
PubChem Substance ID:
24901467
Flavis number:
8.008
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

400

Agency

follows IFRA guidelines

reg. compliance

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

vapor pressure

0.38 mmHg ( 20 °C)

Assay

≥98%

autoignition temp.

824 °F

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 1.403 (lit.)

bp

175-177 °C (lit.)

mp

−29 °C (lit.)

density

0.925 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned,

Organoleptic

cheese; fatty; acidic; sour

SMILES string

CC(C)CC(O)=O

InChI

1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChI key

GWYFCOCPABKNJV-UHFFFAOYSA-N

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

176.0 °F - Pensky-Martens closed cup

Flash Point(C)

80 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR8826
SHBR8823
SHBR4563
SHBQ4514
SHBP6105

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Jechan Lee et al.
Environmental pollution (Barking, Essex : 1987), 230, 81-86 (2017-06-27)
This study lays great emphasis on establishing a reliable analytical platform to quantify and specify volatile fatty acids (VFAs) in the aqueous phase by derivatizing VFAs into their corresponding alkyl esters via thermally-induced rapid esterification (only 10 s reaction time). To
Eilhann E Kwon et al.
Environmental research, 183, 109199-109199 (2020-02-07)
In this study, it is introduced a sustainable synthetic route of alkyl esters, considered value-added industrial chemicals and fuels, from volatile fatty acids (VFAs) that can potentially be generated from organic waste. In the presence of a porous carbon material
Georg F Hoffmann et al.
European journal of pediatrics, 163(2), 76-80 (2004-01-10)
The lack of epidemiological data on the frequency and/or burden of organic acidurias (OA) and mitochondrial fatty acid transport and oxidation disorders (mtFATOD) is one reason for hesitation to expand newborn screening (NBS) by tandem mass spectrometry (MS-MS). From 1999
M F Silva et al.
Clinical biochemistry, 34(8), 635-638 (2002-02-19)
The effect of administration of the antiepileptic drug valproate (VPA), on the composition of the plasma acylcarnitine profile (including free carnitine) was investigated. Plasma samples were obtained from 18 individuals (13 males:5 females; 15-65 y) on long-term treatment with VPA
Wolfgang R Mukabana et al.
Journal of chemical ecology, 38(3), 235-244 (2012-03-20)
Estimating the biting fraction of mosquitoes is of critical importance for risk assessment of malaria transmission. Here, we present a novel odor-based tool that has been rigorously assessed in semi-field assays and traditional African villages for estimating the number of
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