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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
Atsushi Sato et al.
Chemical communications (Cambridge, England), (46)(46), 6242-6244 (2008-12-17)
Phenylalanine lithium salt was found to be an effective catalyst for asymmetric Michael addition of isobutyraldehyde with beta-nitroalkenes to give quaternary carbon-containing nitroalkanes.
Henrietta A Headlam et al.
Free radical biology & medicine, 36(9), 1175-1184 (2004-04-15)
Exposure of proteins to radicals in the presence of O2 gives both side-chain oxidation and backbone fragmentation. These processes can be interrelated, with initial side-chain oxidation giving rise to backbone damage via transfer reactions. We have shown previously that alkoxyl
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