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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:
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).


Signal Word

Danger

Hazard Statements

Hazard Classifications

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

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

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Certificates of Analysis (COA)

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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
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
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
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
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

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