4-tert-Butylbenzaldehyde
- CAS NO.:939-97-9
- Empirical Formula: C11H14O
- Molecular Weight: 162.23
- MDL number: MFCD00035742
- EINECS: 213-367-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:13:03
What is 4-tert-Butylbenzaldehyde ?
The Uses of 4-tert-Butylbenzaldehyde
Used for preparing isoxazolyl penicillin derivatives. 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. It is also an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds.
The Uses of 4-tert-Butylbenzaldehyde
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.
Synthesis Reference(s)
The Journal of Organic Chemistry, 37, p. 3973, 1972 DOI: 10.1021/jo00797a058
Tetrahedron Letters, 32, p. 4291, 1991 DOI: 10.1016/S0040-4039(00)92151-8
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.
Properties of 4-tert-Butylbenzaldehyde
| Melting point: | 245-246 °C |
| Boiling point: | 130 °C25 mm Hg(lit.) |
| Density | 0.97 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 214 °F |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| form | Liquid |
| color | Clear colorless to yellow |
| explosive limit | 1.3-5.6%(V) |
| Water Solubility | Soluble in water. |
| Sensitive | Air & Light Sensitive |
| BRN | 1906461 |
| CAS DataBase Reference | 939-97-9(CAS DataBase Reference) |
| EPA Substance Registry System | p-tert-Butylbenzaldehyde (939-97-9) |
Safety information for 4-tert-Butylbenzaldehyde
| Signal word | Danger |
| Pictogram(s) |
![]() Skull and Crossbones Acute Toxicity GHS06 ![]() Health Hazard GHS08 ![]() Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H317:Sensitisation, Skin H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
Computed Descriptors for 4-tert-Butylbenzaldehyde
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