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Merck
CN

418110

Isobutyraldehyde

redistilled, ≥99.5%

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:
24866206
EC Number:
201-149-6
Beilstein/REAXYS Number:
605330
MDL number:
MFCD00006980
Assay:
≥99.5%
Form:
liquid

Key Documents

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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

≥99.5%

form

liquid

autoignition temp.

384 °F

expl. lim.

10 %, 25 °F, 2 %, 32 °F

Quality Level

100

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.)

functional group

aldehyde

storage temp.

2-8°C

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Application

Isobutyraldehyde has been used to investigate the renewable production of isobutyraldehyde from engineered Escherichia coli. It is also used as reagent during the epoxidation of cis-cyclooctene on iron complexed to acetylacetonate (acac)/silica xerogel.

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
SHBQ6135
SHBN6725
SHBL9605
SHBL0558
SHBK0820

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The reactions of alkyl radicals. Part 2.-s-propyl radicals from the photolysis of isobutyraldehyde.
Kerr JA and Trotman-Dickenson AF.
Transactions of the Faraday Society, 55, 921-928 (1959)
Iron acetylacetonate complex anchored on silica xerogel polymer.
Brasil MC, et al.
Reaction Kinetics and Catalysis Letters, 63(2), 135-141 (2005)
Oxidative dehydrogenation of isobutyraldehyde to methacrolein over iron phosphate catalyst.
Muneyama E, et al.
J. Mol. Catal., 89(3), 371-381 (1993)
Specific anosmia to isobutyraldehyde: the malty primary odor.
MOORE JE, et al.
Chemical Senses, 2(1), 17-25 (1976)
Rudy Coquet et al.
Physical chemistry chemical physics : PCCP, 9(45), 6040-6046 (2007-11-16)
The formation and catalytic behavior of active structures in a SiO(2)-supported unsaturated Ru complex catalyst for alkene epoxidation were studied by means of hybrid density functional theory (DFT) calculations. An energy-gaining route for the catalyst activation was found to allow
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