4-tert-Butylbenzaldehyde
ALDRICH/384038 - 97%
Synonym: 4-
CAS Number: 939-97-9
Empirical Formula (Hill Notation): C11H14O
Molecular Weight: 162.23
EC Number: 213-367-9
MDL Number: MFCD00035742
Linear Formula: (CH3)3CC6H4CHO
Product Type: Chemical
| assay | 97% |
| bp | 130 °C/25 mmHg (lit.) |
| density | 0.97 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C11H14O/c1-11(2,3)10-6 |
| InChI key | OTXINXDGSUFPNU-UHFFFAOYSA |
| refractive index | n |
| SMILES string | [H]C(=O)c1ccc(cc1)C(C)(C) |
| Application: | 4-tert-Butylbenzaldehyde is suitable for use in a kinetic study to evaluate the kinetic constants (KI) for inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. |
| General description: | 4-tert-Butylbenzaldehyde is an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds. It is reported to be formed during the partial oxidation of 4-tert-butyltoluene by hydrogen peroxide in glacial acetic acid, catalyzed by bromide ions in combination with cobalt(II) acetate or cerium(III) acetate. Schiff base reaction between 4-tert-butylaniline and 4-tert-butylbenzaldehyde in ethanol has been carried out on-chip in the matrix assisted laser desorption ionization (MALDI) chamber, the formed imine was detected in real time. |
| Packaging: | 5, 25 mL in glass bottle |
| Symbol |    GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H301 - H317 - H361fd - H400 |
| Precautionary statements | P202 - P261 - P273 - P280 - P301 + P310 - P302 + P352 |
| Hazard Codes | Xn,N |
| Risk Statements | 22-43-50/53 |
| Safety Statements | 36/37-60-61 |
| RIDADR | UN 3082 9 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 213.8 °F - closed cup |
| Flash Point(C) | 101 °C - closed cup |
| Purity | 97% |
| bp | 130 °C/25 mmHg (lit.) |
| Density | 0.97 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |