Isobutyraldehyde
ALDRICH/538205 - dry, 98%
Synonym: 2-Methylpropanal; 2-
CAS Number: 78-84-2
Empirical Formula (Hill Notation): C4H8O
Molecular Weight: 72.11
EC Number: 201-149-6
MDL Number: MFCD00006980
Linear Formula: (CH3)2CHCHO
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 538205-100ML.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 538205-1L.
| assay | 98% |
| autoignition temp. | 384 °F |
| bp | 63 °C (lit.) |
| density | 0.79 g/mL at 25 °C (lit.) |
| expl. lim. | 10 %, 25 °F |
| 2 %, 32 °F | |
| InChI | 1S/C4H8O/c1-4(2)3-5/h3-4H |
| InChI key | AMIMRNSIRUDHCM-UHFFFAOYSA |
| mp | −65 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | [H]C(=O)C(C)C |
| solubility | 60 g/L at 25 °C |
| storage temp. | 2-8°C |
| vapor density | 2.5 (vs air) |
| vapor pressure | 66 mmHg ( 4.4 °C) |
| Application: | Isobutyraldehyde may be used in the synthesis of the following compounds: • N-cyclohrxyl-α-dimethylami • 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. |
| 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. |
| Packaging: | 1 L in glass bottle |
| Packaging: | 100 mL in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 |
| Precautionary statements | P210 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36 |
| Safety Statements | 16-26 |
| RIDADR | UN 2045 3 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | -11.2 °F - closed cup |
| Flash Point(C) | -24 °C - closed cup |
| Purity | 98% |
| bp | 63 °C (lit.) |
| mp | −65 °C (lit.) |
| Density | 0.79 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |