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W269212

Sigma-Aldrich

Isovaleraldehyde

natural, ≥95%, 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.:
94c
MDL number:
PubChem Substance ID:
Flavis number:
5.006
NACRES:
NA.21

Quality Level

grade

FG
Kosher
natural

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

≥95%

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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Related Categories

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

T Hofmann et al.
Journal of agricultural and food chemistry, 48(2), 434-440 (2000-02-26)
Application of aroma extract dilution analysis on the volatiles formed by reacting glucose and L-phenylalanine (30 min, 100 degrees C) revealed the Strecker aldehyde, phenylacetaldehyde (PA), and, in addition, phenylacetic acid (PAA) as the two key odorants among the volatiles...
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...
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...
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...
Catherine E Garner et al.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 21(8), 1675-1688 (2007-02-23)
Little is known about the volatile organic compounds (VOCs) in feces and their potential health consequences. Patients and healthcare professionals have observed that feces often smell abnormal during gastrointestinal disease. The aim of this work was to define the volatiles...

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