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Merck
CN

W269204

Isovaleraldehyde

≥97%, FG

Synonym(s):

3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119

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About This Item

Linear Formula:
(CH3)2CHCH2CHO
CAS Number:
590-86-3
Molecular Weight:
86.13
FEMA Number:
2692
Council of Europe no.:
94
UNSPSC Code:
12164502
PubChem Substance ID:
24901257
Flavis number:
5.006
EC Number:
209-691-5
NACRES:
NA.21
MDL number:
MFCD00007014
Beilstein/REAXYS Number:
773692
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

Key Documents

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Product Name

Isovaleraldehyde, ≥97%, FG

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

biological source

synthetic

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

Quality Level

300
400

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Related Categories

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

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBS9679
SHBS1102
SHBS1101
SHBQ3700
SHBQ5596

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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)
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
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