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| | 4-tert-Butylbenzaldehyde Basic information |
| | 4-tert-Butylbenzaldehyde Chemical Properties |
| Melting point | 245-246 °C | | Boiling point | 130 °C25 mm Hg(lit.) | | density | 0.97 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.53(lit.) | | Fp | 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 | | Cosmetics Ingredients Functions | FRAGRANCE | | InChI | 1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3 | | InChIKey | OTXINXDGSUFPNU-UHFFFAOYSA-N | | SMILES | [H]C(=O)c1ccc(cc1)C(C)(C)C | | LogP | 3.330 (est) | | CAS DataBase Reference | 939-97-9(CAS DataBase Reference) | | EPA Substance Registry System | p-tert-Butylbenzaldehyde (939-97-9) |
| Hazard Codes | Xn,N,Xi | | Risk Statements | 22-43-50/53 | | Safety Statements | 36/37-60-61 | | RIDADR | UN 3082 9/PG 3 | | WGK Germany | 2 | | F | 8-9-23 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HazardClass | 9 | | PackingGroup | III | | HS Code | 29122990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Aquatic Acute 1
Repr. 2
Skin Sens. 1 |
| | 4-tert-Butylbenzaldehyde Usage And Synthesis |
| Uses | 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. | | Uses | 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. | | Synthesis | At present, the synthesis methods of p-tert-butyl benzaldehyde include chemical oxidation, oxygen (air) oxidation, electrochemical oxidation and benzyl halide hydrolysis. Oxygen (air) liquid-phase oxidation is currently the most interested in a method, does not consume more expensive oxidizing agent, and production capacity, environmental pollution is small, is currently the development potential of the method.
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| | 4-tert-Butylbenzaldehyde Preparation Products And Raw materials |
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