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/REAXYS Number:
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

Packaging

100 g in glass bottle
1 kg in glass bottle

Other Notes

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Signal Word

Danger

hazcat

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

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...
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...
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...
Olívia Moreira Sampaio et al.
Journal of agricultural and food chemistry, 56(5), 1661-1668 (2008-02-16)
To identify chemical descriptors to distinguish Cuban from non-Cuban rums, analyses of 44 samples of rum from 15 different countries are described. To provide the chemical descriptors, analyses of the the mineral fraction, phenolic compounds, caramel, alcohols, acetic acid, ethyl...
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...

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