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W269204

Sigma-Aldrich

Isovaleraldehyde

≥97%, FG

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

biological source

synthetic

Quality Level

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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1 of 4

This Item
W269212W399809W270318
vibrant-m

W269204

Isovaleraldehyde

vibrant-m

W269212

Isovaleraldehyde

vibrant-m

W399809

2-Methyl-1-butanol

vibrant-m

W270318

Methyl 2-furoate

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

grade

FG, Halal, Kosher, Fragrance grade

grade

FG, Fragrance grade, Kosher, natural

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher

biological source

synthetic

biological source

-

biological source

synthetic

biological source

synthetic

organoleptic

chocolate; ethereal; fruity; peach; sour

organoleptic

chocolate; fruity; ethereal; peach; sour

organoleptic

alcohol; whiskey; wine-like

organoleptic

berry; mushroom; fruity; sweet; tobacco

density

0.803 g/mL at 25 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

density

0.819 g/mL at 20 °C (lit.), 0.815 g/mL at 25 °C (lit.)

density

1.179 g/mL at 25 °C (lit.)

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


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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
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

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