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Key Documents

W269212

Sigma-Aldrich

Isovaleraldehyde

greener alternative

natural, ≥95%, FG

Synonym(s):

3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119

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About This Item

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:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.006
NACRES:
NA.21

grade

FG
Fragrance grade
Kosher
natural

Quality Level

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

≥95%

autoignition temp.

464 °F

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

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

greener alternative category

organoleptic

chocolate; fruity; ethereal; 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

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”. Click here to view its Biobased natural statement.

Application


  • Contribution of phospholipase B to the formation of characteristic flavor in steamed sturgeon meat.: This study discusses how phospholipase B contributes to flavor formation in steamed sturgeon, including the role of isovaleraldehyde in enhancing sensory attributes, potentially applicable for food chemistry and biochemistry research (Yang Z et al., 2024).

  • Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.: This research explores the catalytic activity of metallasilylene complexes in the hydroboration of aldehydes, including isovaleraldehyde, highlighting its significance in synthetic chemistry and materials science (Kapp L et al., 2024).

  • Effects of Storage in an Active and Spontaneous Controlled O(2)/CO(2) Atmosphere on Volatile Flavor Components and the Microbiome of Truffles.: This article examines how controlled atmospheric conditions affect the volatile profile of truffles, including isovaleraldehyde, providing insights into food preservation techniques and microbiome interactions (Li Q et al., 2024).

  • GC-MS, GC-IMS, and E-Nose Analysis of Volatile Aroma Compounds in Wet-Marinated Fermented Golden Pomfret Prepared Using Different Cooking Methods.: Investigates how cooking methods impact the aroma profile of marinated pomfret, with a focus on isovaleraldehyde as a key volatile compound, relevant for studies on food quality and sensory analysis (Chen Q et al., 2024).


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)

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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
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
Eva Kirchhoff et al.
Journal of agricultural and food chemistry, 50(19), 5378-5385 (2002-09-05)
Application of the aroma extract dilution analysis on a flavor distillate prepared from freshly ground rye flour (type 1150) revealed 1-octen-3-one (mushroom-like), methional (cooked potato), and (E)-2-nonenal (fatty, green) with the highest flavor dilution (FD) factors among the 26 odor-active
E S Holm et al.
Meat science, 95(2), 302-310 (2013-06-12)
The changes in the VOC composition of industrially produced saveloy were measured with Proton-Transfer-Reaction Mass-Spectrometry (PTR-MS) and HeadSpace Gas chromatography-mass spectrometry (HS-GC-MS) during a six weeks storage period. A decrease in the volatile organic compounds contributing to the fresh aroma

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