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146455

Sigma-Aldrich

Isovaleraldehyde

97%

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Synonym(s):
3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119
Linear Formula:
(CH3)2CHCH2CHO
CAS Number:
590-86-3
Molecular Weight:
86.13
Beilstein:
773692
EC Number:
209-691-5
MDL number:
MFCD00007014
PubChem Substance ID:
24848781
NACRES:
NA.22

vapor density

2.96 (vs air)

Quality Level

100

vapor pressure

30 mmHg ( 20 °C)

Assay

97%

form

liquid

autoignition temp.

464 °F

refractive index

n20/D 1.388 (lit.)

bp

90 °C (lit.)

solubility

alcohol: miscible
diethyl ether: miscible
water: slightly soluble

density

0.803 g/mL at 25 °C (lit.)

Organoleptic

pungent

storage temp.

2-8°C

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 a short-chain aldehyde that can be produced by oxidizing isoamyl alcohol.

Isovaleraldehyde is an attractant and its interaction with zoospores of the fungus Phytophthora palmivora has been studied by binding techniques.

Application

Isovaleraldehyde was used as standard to evaluate the quality of olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was used as internal standard in determination of wine aroma carbonyl compounds with 5-8 carbon atoms.

Signal Word

Danger

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

Regulatory Information

危险化学品

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Microbial community and metabolite dynamics during soy sauce koji making
Tan G, et al.
Frontiers in Microbiology, 13, 841529-841529 (2022)
Continuous production and in situ extraction of isovaleraldehyde in a membrane bioreactor
Molinari F, et al.
Immobilized Cells: Basics and Applications, 11, 538-545 (1996)
Analysis for wine C5-C8 aldehydes through the determination of their O-(2, 3, 4, 5, 6-pentafluorobenzyl) oximes formed directly in the solid phase extraction cartridge.
Cullere L, et al.
Analytica Chimica Acta, 524(1), 201-206 (2004)
J N Cameron et al.
Journal of cell science, 49, 273-281 (1981-06-01)
The interaction of isovaleraldehyde, an attractant, with zoospores of the fungus Phytophthora palmivora was investigated by using binding techniques. The amount of isovaleraldehyde bound diminished with time, an effect that may be related to sensory adaptation. In addition to non-specific
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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