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Merck
CN

320358

Isobutyraldehyde

98%

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
Beilstein:
605330
EC Number:
201-149-6
MDL number:
MFCD00006980
UNSPSC Code:
12352100
PubChem Substance ID:
24859261
NACRES:
NA.22

Key Documents

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vapor density

2.5 (vs air)

Quality Level

100

vapor pressure

66 mmHg ( 4.4 °C)

Assay

98%

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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Related Categories

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ2090
SHBL3995
SHBH3283V
SHBF6424V
SHBF1534V

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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.
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)
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
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
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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