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Merck
CN

W222011

Isobutyraldehyde

greener alternative

natural, 96%, FG

Synonym(s):

2-Methylpropanal, 2-Methylpropionaldehyde

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About This Item

Linear Formula:
(CH3)2CHCHO
CAS Number:
Molecular Weight:
72.11
FEMA Number:
2220
Council of Europe no.:
92c
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.004
EC Number:
201-149-6
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
605330
Organoleptic:
cocoa; pungent; brown
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
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Quality Level

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117

vapor density

2.5 (vs air)

vapor pressure

66 mmHg ( 4.4 °C)

assay

96%

autoignition temp.

384 °F

expl. lim.

10 %, 25 °F, 2 %, 32 °F

greener alternative product characteristics

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

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

greener alternative category

organoleptic

cocoa; pungent; brown

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

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”.

Application


  • Efficient total synthesis of pulchellalactam, a CD45 protein tyrosine phosphatase inhibitor.: Discusses a synthetic route involving isobutyraldehyde for developing inhibitors that have potential applications in biochemistry and medical research (Li WR et al., 2002).



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pictograms

FlameExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

-11.2 °F - closed cup

flash_point_c

-24 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品

This item has



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Bettina M Pause et al.
Psychophysiology, 40(2), 209-225 (2003-06-25)
The aim of the present study was to investigate the similarities and differences in the olfactory and visual processing of emotional stimuli in healthy subjects and in patients with major depressive disorder (MDD). Twenty-five inpatients were investigated after admission to
Bart A Smit et al.
Journal of agricultural and food chemistry, 52(5), 1263-1268 (2004-03-05)
Formation of flavor compounds from branched-chain alpha-keto acids in fermented foods such as cheese is believed to be mainly an enzymatic process, while the conversion of phenyl pyruvic acid, which is derived from phenylalanine, also proceeds chemically. In this research
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.



Global Trade Item Number

SKUGTIN
W222011-1KG-K04061838179678
W222011-100G-K04061838093189
W222011-25G-K04061838191090
W222011-SAMPLE-K04061838191106