Skip to Content
Merck
CN
All Photos(3)

Key Documents

View All Documentation

Safety Information

538205

Sigma-Aldrich

Isobutyraldehyde

dry, 98%

Synonym(s):

2-Methylpropanal, 2-Methylpropionaldehyde

Sign Into View Organizational & Contract Pricing
All Photos(3)

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:
24878311
NACRES:
NA.22

vapor density

2.5 (vs air)

Quality Level

200

vapor pressure

66 mmHg ( 4.4 °C)

Assay

98%

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

Looking for similar products? Visit Product Comparison Guide

General description

Isobutyraldehyde is an α,α-disubstituted aldehyde. It is an important raw material for the manufacture of various industrially important chemicals. It may be produced from CO2 and overexpression of ribulose 1,5-bisphosphate carboxylase/oxygenase employing genetically engineered strain of Synechococcus elongatus PCC7942. Enantioenriched γ-nitroaldehydes are obtained from the conjugate addition reaction between isobutyraldehyde with nitroalkenes in the presence of chiral organocatalysts.

Application

Isobutyraldehyde may be used in the synthesis of the following compounds:
  • N-cyclohrxyl-α-dimethylaminoisovalerarnide
  • N′-cyclohexyl-N,N-dimethyl-α-dimethylaminoisovaleramidine
  • α-acetoxy-N-cyclohexylisovaleramide
  • acetic anhydride
  • N-cyclohexyl-a-formyloxyisovaleramide
  • cyclic carbonates
  • hydroxypivaldehyde, which is useful for the preparation of neopentyl glycol (NPG)
It may also be employed for the microbial synthesis of isobutanol.

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

危险化学品

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SHBS3175
SHBR6547
SHBL4404
MKCC4270
MKBT1795V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Cross-Aldol condensation of isobutyraldehyde and formaldehyde using phase transfer catalyst.
Hashmi A.
Journal of Saudi Chemical Society (2013)
Reactions of cyclohexylisonitrile and isobutyraldehyde with various nucleophiles and catalysts.
McFarland JW.
The Journal of Organic Chemistry, 28(9), 2179-2181 (1963)
Enantioselective Michael addition of isobutyraldehyde to nitroalkenes organocatalyzed by chiral primary amine-guanidines.
Avila A, et al.
Tetrahedron Asymmetry, 25(5), 462-467 (2014)
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
Adriana C Velosa et al.
Chemical research in toxicology, 20(8), 1162-1169 (2007-07-17)
Electronically excited triplet carbonyls are formed during the oxidative degradation of polyunsaturated fatty acids, amino acids, and beta-dicarbonyl metabolites. Due to their long lifetime and high alkoxyl radical-like reactivity, triplet carbonyls may initiate deleterious reactions in biological systems. Here we
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service