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Merck

W310204

Isovaleric acid

≥99%, FCC, 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
Council of Europe no.:
8
UNSPSC Code:
12164502
PubChem Substance ID:
24901466
Flavis number:
8.008
EC Number:
207-975-3
NACRES:
NA.21
MDL number:
MFCD00002726
Beilstein/REAXYS Number:
1098522
organoleptic:
cheese; fatty; acidic; sour
grade:
FG
Halal
biological source:
synthetic
agency:
meets purity specifications of JECFA
food allergen:
no known allergens

Product Name

Isovaleric acid, ≥99%, FCC, FG

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

biological source

synthetic

grade

FG
Halal

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 172.515

vapor pressure

0.38 mmHg ( 20 °C)

assay

≥99%

autoignition temp.

824 °F

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

organoleptic

cheese; fatty; acidic; sour

Quality Level

300

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General description

Isovaleric acid is the main volatile flavor constituent of Swiss cheese and beer. It has been identified as the key odor-active compound responsible for "Brett" flavor in wine.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

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

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2238
SHBR4696
SHBS2496
SHBQ3987
SHBP9343

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What is" Brett"(Brettanomyces) flavor?: A preliminary investigation.
ACS Symp. Ser., 714, 96?115-96?115 (1998)
The flavour of beer?a review.
Journal of the Institute of Brewing, 76(5), 486-495 (1970)
Isovaleric acid is mainly produced by Propionibacterium freudenreichii in Swiss cheese.
Thierry A, et al.
International dairy journal, 14(9), 801-807 (2004)
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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