538205

Isobutyraldehyde

dry, 98%

• Synonym(s): 2-Methylpropanal, 2-Methylpropionaldehyde
• Linear Formula: (CH₃)₂CHCHO
• CAS Number: 78-84-2
• Molecular Weight: 72.11
• Beilstein/REAXYS Number: 605330
• EC Number: 201-149-6
• MDL number: MFCD00006980
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878311
• NACRES: NA.22

Properties

• vapor density: 2.5 (vs air)
• 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.)
• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: -11.2 °F - closed cup
• flash_point_c: -24 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves