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W222003

Sigma-Aldrich

Isobutyraldehyde

≥98%, FG

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Synonym(s):
2-Methylpropanal, Isobutanal, 2-Methylpropionaldehyde
Linear Formula:
(CH3)2CHCHO
CAS Number:
Molecular Weight:
72.11
FEMA Number:
2220
Beilstein/REAXYS Number:
605330
EC Number:
Council of Europe no.:
92
MDL number:
PubChem Substance ID:
Flavis number:
5.004
NACRES:
NA.21

biological source

synthetic

Quality Level

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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1 of 4

This Item
W22201124078868529
vibrant-m

W222003

Isobutyraldehyde

vibrant-m

W222011

Isobutyraldehyde

vibrant-m

240788

Isobutyraldehyde

vibrant-m

68529

Isobutyraldehyde

grade

FG, Halal, Fragrance grade, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

grade

-

grade

analytical standard

food allergen

no known allergens

food allergen

no known allergens

food allergen

-

food allergen

-

fragrance allergen

no known allergens

fragrance allergen

no known allergens

fragrance allergen

-

fragrance allergen

-

biological source

synthetic

biological source

-

biological source

-

biological source

-

mp

−65 °C (lit.)

mp

−65 °C (lit.)

mp

−65 °C (lit.)

mp

−65 °C (lit.)

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.

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

-11.2 °F - closed cup

flash_point_c

-24 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves


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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1462-1463 (1997)
Wheat flavor components
Mcwilliams M & Mackey AC
Journal of Food Science, 34(6), 493-496 (1969)
Specific anosmia to isobutyraldehyde: the malty primary odor.
MOORE JE, et al.
Chemical Senses, 2(1), 17-25 (1976)
Hyunwoo Kim et al.
Organic letters, 11(1), 157-160 (2008-12-10)
Addition of isobutyraldehyde to 1,2-bis(2-hydroxyphenyl)-1,2-diaminoethane (mother diamine) cleanly gives a stable, fused imidazolidine-dihydro-1,3-oxazine ring complex. However, vigorous heating of the fused ring complex gives the diaza-Cope rearrangement product with excellent yield and stereoselectivity. A variety of alkyl aldehydes have been
Atsushi Sato et al.
Chemical communications (Cambridge, England), (46)(46), 6242-6244 (2008-12-17)
Phenylalanine lithium salt was found to be an effective catalyst for asymmetric Michael addition of isobutyraldehyde with beta-nitroalkenes to give quaternary carbon-containing nitroalkanes.

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