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About This Item
Linear Formula:
(CH3)2CHCHO
CAS Number:
Molecular Weight:
72.11
Beilstein:
605330
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
vapor density
2.5 (vs air)
Quality Level
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
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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)
Signal Word
Danger
Hazard Statements
Precautionary Statements
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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