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W269204

Sigma-Aldrich

Isovaleraldehyde

≥97%, FG

Synonym(s):
NSC 404119, 3-Methylbutanal, 3-Methylbutyraldehyde
Linear Formula:
(CH3)2CHCH2CHO
CAS Number:
Molecular Weight:
86.13
FEMA Number:
2692
Beilstein:
773692
EC Number:
Council of Europe no.:
94
MDL number:
PubChem Substance ID:
Flavis number:
5.006
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

chocolate; ethereal; fruity; peach; sour

food allergen

no known allergens

fragrance allergen

no known allergens

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.

Packaging

4, 8, 20 kg in composite drum
1 kg in glass bottle

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK Germany

WGK 2

Flash Point(F)

32.9 °F - closed cup

Flash Point(C)

0.5 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

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)
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)
P Perpète et al.
Journal of agricultural and food chemistry, 48(6), 2384-2386 (2000-07-11)
A medium containing labeled leucine-d(10) has been used to show that Saccharomyces cerevisiae was able to produce deuterated 3-methylbutanal in a cold contact fermentation. Whereas residual unreduced Strecker aldehydes bound to polyphenols were considered until now as the main defect...
Dimitrios P Balagiannis et al.
Journal of agricultural and food chemistry, 57(21), 9916-9922 (2009-10-13)
Quantitative control of aroma generation during the Maillard reaction presents great scientific and industrial interest. Although there have been many studies conducted in simplified model systems, the results are difficult to apply to complex food systems, where the presence of...

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