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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:
78-84-2
Molecular Weight:
72.11
FEMA Number:
2220
Council of Europe no.:
92c
UNSPSC Code:
12164502
PubChem Substance ID:
24900933
Flavis number:
5.004
EC Number:
201-149-6
NACRES:
NA.21
MDL number:
MFCD00006980
Beilstein/REAXYS Number:
605330
Organoleptic:
cocoa; pungent; brown
Grade:
FG
Fragrance grade
Halal
Kosher
natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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Product Name

Isobutyraldehyde, natural, 96%, FG

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

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

Aligned

organoleptic

cocoa; pungent; brown

Quality Level

300
400

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Related Categories

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).

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”.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

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
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Certificates of Analysis (COA)

Lot/Batch Number
SHBP7995
SHBN9694
SHBN6475
SHBN6351
SHBM3942

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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
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
Shota Atsumi et al.
Nature biotechnology, 27(12), 1177-1180 (2009-11-17)
Global climate change has stimulated efforts to reduce CO(2) emissions. One approach to addressing this problem is to recycle CO(2) directly into fuels or chemicals using photosynthesis. Here we genetically engineered Synechococcus elongatus PCC7942 to produce isobutyraldehyde and isobutanol directly
Christine Counet et al.
Journal of agricultural and food chemistry, 50(8), 2385-2391 (2002-04-04)
After vacuum distillation and liquid-liquid extraction, the volatile fractions of dark chocolates were analyzed by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Aroma extract dilution analysis revealed the presence of 33 potent odorants in the neutral/basic fraction. Three of these had
Hamid Reza Khavasi et al.
Inorganic chemistry, 48(13), 5593-5595 (2009-05-28)
Dioxygen epoxidation of cyclic alkenes into their corresponding epoxides was successfully achieved in good yield by using a novel binuclear manganese carboxamide complex as the catalyst and isobutyraldehyde as the cosubstrate.
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