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Merck
CN

240788

Isobutyraldehyde

≥99%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854436
EC Number:
201-149-6
Beilstein/REAXYS Number:
605330
MDL number:
MFCD00006980

Key Documents

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Product Name

Isobutyraldehyde, ≥99%

InChI key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

InChI

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

SMILES string

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

vapor density

2.5 (vs air)

vapor pressure

66 mmHg ( 4.4 °C)

assay

≥99%

form

liquid

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

water: soluble 11g/100mL at 20 °C(lit.)
acetone: miscible(lit.)
benzene: miscible(lit.)
carbon disulfide: miscible(lit.)
chloroform: miscible(lit.)
diethyl ether: miscible(lit.)
ethanol: miscible(lit.)
toluene: miscible(lit.)

density

0.79 g/mL at 25 °C (lit.)

functional group

aldehyde

storage temp.

2-8°C

Quality Level

200

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Application

Isobutyraldehyde (2-methylpropionaldehyde) was used in the microbial synthesis of isobutanol (2-methylpropan-1-ol).

General description

Isobutyraldehyde undergoes asymmetric Michael addition reaction with β-nitroalkenes to give quaternary carbon-containing nitroalkanes.

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
SHBT3128
SHBR8207
SHBQ8709
SHBR2012
SHBL7886

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Xiang Liu et al.
Journal of biotechnology, 164(2), 188-195 (2012-09-15)
We have determined the X-ray crystal structures of the NADH-dependent alcohol dehydrogenase LlAdhA from Lactococcus lactis and its laboratory-evolved variant LlAdhA(RE1) at 1.9Å and 2.5Å resolution, respectively. LlAdhA(RE1), which contains three amino acid mutations (Y50F, I212T, and L264V), was engineered
Weronika Filipowska et al.
Journal of chromatography. A, 1612, 460647-460647 (2019-11-27)
Aldehydes originating from malt play an important role in beer flavour deterioration. In order to better understand the influence of malting process on beer staling, it is necessary to acquire a reliable analytical methodology for determination of beer staling aldehydes
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
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
Organocatalytic enantioselective cross-aldol reactions of aldehydes with isatins: formation of two contiguous quaternary centered 3-substituted 3-hydroxyindol-2-ones.
Fei Xue et al.
Chemistry, an Asian journal, 4(11), 1664-1667 (2009-09-12)
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