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Safety Information

W222003

Sigma-Aldrich

Isobutyraldehyde

≥98%, FG

Synonym(s):

2-Methylpropanal, Isobutanal, 2-Methylpropionaldehyde

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About This Item

Linear Formula:
(CH3)2CHCHO
CAS Number:
78-84-2
Molecular Weight:
72.11
FEMA Number:
2220
Beilstein:
605330
EC Number:
201-149-6
Council of Europe no.:
92
MDL number:
MFCD00006980
UNSPSC Code:
12164502
PubChem Substance ID:
24900932
Flavis number:
5.004
NACRES:
NA.21
Organoleptic:
fresh; green; floral
grade:
FG
Fragrance grade
Halal
Kosher
biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
food allergen:
no known allergens

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
FDA 21 CFR 172.515

vapor density

2.5 (vs air)

vapor pressure

66 mmHg ( 4.4 °C)

Assay

≥98%

autoignition temp.

384 °F

expl. lim.

10 %, 25 °F
2 %, 32 °F

refractive index

n20/D 1.374 (lit.)

bp

63 °C (lit.)

mp

−65 °C (lit.)

solubility

60 g/L at 25 °C

density

0.79 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

fresh; green; floral

storage temp.

2-8°C

SMILES string

[H]C(=O)C(C)C

InChI

1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChI key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

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General description

Isobutyraldehyde is an aliphatic aldehyde that can be used as a flavoring agent. It has been identified as one of the volatile flavor components in wheat essence. Some humans are anosmic towards the odor of isobutanal.

Application


  • Single-Atom palladium engineered cobalt nanocomposite for selective aerobic oxidation of sulfides to sulfoxides.: This study presents a novel approach using a palladium-engineered cobalt nanocomposite that promotes the selective aerobic oxidation of sulfides, with isobutyraldehyde acting as an important reagent in the process, offering potential for more efficient and environmentally friendly chemical synthesis (Ma et al., 2024).

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

-11.2 °F - closed cup

Flash Point(C)

-24 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR5869
SHBR7531
SHBR5150
SHBS1764
SHBR9884

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1462-1463 (1997)
Specific anosmia to isobutyraldehyde: the malty primary odor.
MOORE JE, et al.
Chemical Senses, 2(1), 17-25 (1976)
Wheat flavor components
Mcwilliams M & Mackey AC
Journal of Food Science, 34(6), 493-496 (1969)
Adriana C Velosa et al.
Chemical research in toxicology, 20(8), 1162-1169 (2007-07-17)
Electronically excited triplet carbonyls are formed during the oxidative degradation of polyunsaturated fatty acids, amino acids, and beta-dicarbonyl metabolites. Due to their long lifetime and high alkoxyl radical-like reactivity, triplet carbonyls may initiate deleterious reactions in biological systems. Here we
Gabriel M Rodriguez et al.
Microbial cell factories, 11, 90-90 (2012-06-27)
Increasing global demand and reliance on petroleum-derived chemicals will necessitate alternative sources for chemical feedstocks. Currently, 99% of chemical feedstocks are derived from petroleum and natural gas. Renewable methods for producing important chemical feedstocks largely remain unaddressed. Synthetic biology enables
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