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418110

Sigma-Aldrich

Isobutyraldehyde

redistilled, ≥99.5%

Synonym(s):

2-Methylpropanal, 2-Methylpropionaldehyde

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100 ML
€113.00
800 ML
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About This Item

Linear Formula:
(CH3)2CHCHO
CAS Number:
78-84-2
Molecular Weight:
72.11
Beilstein:
605330
EC Number:
201-149-6
MDL number:
MFCD00006980
UNSPSC Code:
12352100
PubChem Substance ID:
24866206
NACRES:
NA.22

€113.00

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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

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

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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Application

Isobutyraldehyde has been used to investigate the renewable production of isobutyraldehyde from engineered Escherichia coli.[1] It is also used as reagent during the epoxidation of cis-cyclooctene on iron complexed to acetylacetonate (acac)/silica xerogel.[2]

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

-11.2 °F - closed cup

Flash Point(C)

-24 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ6135
SHBN6725
SHBL9605
SHBL0558
SHBK0820

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Oxidative dehydrogenation of isobutyraldehyde to methacrolein over iron phosphate catalyst.
Muneyama E, et al.
J. Mol. Catal., 89(3), 371-381 (1993)
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)
Specific anosmia to isobutyraldehyde: the malty primary odor.
MOORE JE, et al.
Chemical Senses, 2(1), 17-25 (1976)
S Bahmanyar et al.
Journal of the American Chemical Society, 125(9), 2475-2479 (2003-02-27)
Quantum mechanical calculations were employed to predict the ratio of four stereoisomeric products expected from two complex reactions involving the aldol reactions of cyclohexanone with benzaldehyde or with isobutyraldehyde catalyzed by (S)-proline. Experimental tests of these predictions provide an assessment
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