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240788

Sigma-Aldrich

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

2.5 (vs air)

Quality Level

200

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

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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General description

Isobutyraldehyde undergoes asymmetric Michael addition reaction with β-nitroalkenes to give quaternary carbon-containing nitroalkanes[1].

Application

Isobutyraldehyde (2-methylpropionaldehyde) was used in the microbial synthesis of isobutanol (2-methylpropan-1-ol)[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
SHBR8207
SHBQ8709
SHBR2012
SHBL7886
MKCC6795

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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
P Bustillo Trueba et al.
Journal of chromatography. A, 1604, 460467-460467 (2019-08-28)
This paper describes the method validation for the simultaneous determination of seven cysteinylated aldehydes, i.e. 2-substituted 1,3-thiazolidines-4-carboxylic acids, using ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS). Authentic reference compounds were first synthesized for identification and quantification purposes. Moreover, nuclear magnetic resonance (1H
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
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
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