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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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24859261
EC Number:
201-149-6
Beilstein/REAXYS Number:
605330
MDL number:
MFCD00006980
Assay:
98%
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

98%

form

liquid

autoignition temp.

384 °F

expl. lim.

10 %, 25 °F, 2 %, 32 °F

Quality Level

100

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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Related Categories

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3795
SHBQ2090
SHBL3995
SHBH3283V
SHBF6424V

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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.
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
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)
Katsuya Fukami et al.
Journal of agricultural and food chemistry, 50(19), 5412-5416 (2002-09-05)
To make clear the distinctive odorants of fish sauce, addition tests were carried out with respect to deodorized fish sauce samples. Volatiles from the headspace gas of nontreated fish sauce and deodorized fish sauce were characterized by gas chromatography-olfactometry and
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