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W269204

Sigma-Aldrich

Isovaleraldehyde

≥97%, FG

Synonym(s):

3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119

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W269204-SAMPLE-K
$53.48
1 KG
$151.00
4 KG
$337.00
20 KG
$1,050.00

$53.48

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W269204-SAMPLE-K
$53.48
1 KG
$151.00
4 KG
$337.00
20 KG
$1,050.00

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
organoleptic:
chocolate; ethereal; fruity; peach; sour
grade:
FG
Fragrance grade
Halal
Kosher
biological source:
synthetic
agency:
follows IFRA guidelines
meets purity specifications of JECFA
food allergen:
no known allergens

$53.48

List Price$56.30Save 5%
Web-Only Promotion

Available to ship onApril 29, 2025Details

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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[1], corn-grits[2] and tequila.[3]

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBS1101
SHBS1102
SHBQ3700
SHBQ5596
SHBP5627

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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)
Wheat flavor components
Mcwilliams M & Mackey AC
Journal of Food Science, 34(6), 493-496 (1969)
Characterization of tequila flavor by instrumental and sensory analysis.
Benn SM & Peppard TL.
Journal of Agricultural and Food Chemistry, 44(2), 557-566 (1996)
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
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
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