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W269204

Sigma-Aldrich

Isovaleraldehyde

≥97%, FG

Synonym(s):

3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119

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About This Item

Linear Formula:
(CH3)2CHCH2CHO
CAS Number:
590-86-3
Molecular Weight:
86.13
FEMA Number:
2692
Beilstein/REAXYS Number:
773692
EC Number:
209-691-5
Council of Europe no.:
94
MDL number:
MFCD00007014
UNSPSC Code:
12164502
PubChem Substance ID:
24901257
Flavis number:
5.006
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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
FDA 21 CFR 117

vapor density

2.96 (vs air)

vapor pressure

30 mmHg ( 20 °C)

assay

≥97%

autoignition temp.

464 °F

refractive index

n20/D 1.388 (lit.)

bp

90 °C (lit.)

density

0.803 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

chocolate; ethereal; fruity; peach; sour

SMILES string

[H]C(=O)CC(C)C

InChI

1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

InChI key

YGHRJJRRZDOVPD-UHFFFAOYSA-N

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General description

Isovaleraldehyde is one of the flavor compounds identified in wheat, corn-grits and tequila.

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

32.9 °F - closed cup

flash_point_c

0.5 °C - closed cup

ppe

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Extrusion of flavored corn grits: Structural characteristics, volatile compounds retention and sensory acceptability
Menis MEC, et al.
LWT--Food Science and Technology, 54(2), 434-439 (2013)
Characterization of tequila flavor by instrumental and sensory analysis.
Benn SM & Peppard TL.
Journal of Agricultural and Food Chemistry, 44(2), 557-566 (1996)
Wheat flavor components
Mcwilliams M & Mackey AC
Journal of Food Science, 34(6), 493-496 (1969)
Taichi Kano et al.
Journal of the American Chemical Society, 127(47), 16408-16409 (2005-11-25)
A direct asymmetric Mannich reaction using a novel axially chiral amino trifluoromethanesulfonamide (S)-3 has been developed in highly anti-selective and enantioselective manners. Thus, in the presence of a catalytic amount of (S)-3, the reactions between aldehydes and the alpha-imino ester
B A Smit et al.
Applied microbiology and biotechnology, 64(3), 396-402 (2003-11-19)
Various microorganisms, belonging to the genera Lactococcus, Lactobacillus, Streptococcus, Leuconostoc, Bifidobacterium, Propionibacterium, Brevibacterium, Corynebacterium and Arthrobacter, used in dairy fermentations such as cheese making, were analysed for their potential to convert leucine into flavour components, most notably 3-methylbutanal. A large
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