384038

4-tert-Butylbenzaldehyde

97%

• Synonym(s): 4-(1,1-Dimethylethyl)benzaldehyde, p-tert-Butylbenzaldehyde, para-tert-Butylbenzaldehyde
• Linear Formula: (CH₃)₃CC₆H₄CHO
• CAS Number: 939-97-9
• Molecular Weight: 162.23
• Beilstein: 1906461
• EC Number: 213-367-9
• MDL number: MFCD00035742
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863644
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 97%
• form: liquid
• refractive index: n20/D 1.53 (lit.)
• bp: 130 °C/25 mmHg (lit.)
• density: 0.97 g/mL at 25 °C (lit.)
• SMILES string: [H]C(=O)c1ccc(cc1)C(C)(C)C
• InChI: 1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
• InChI key: OTXINXDGSUFPNU-UHFFFAOYSA-N

Description

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.

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.

Safety Information

• Pictograms: GHS06,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H301,H317,H361fd,H400
• Precautionary Statements: P202 - P261 - P273 - P280 - P301 + P310 - P302 + P352
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Acute 1 - Repr. 2 - Skin Sens. 1
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 213.8 °F - closed cup
• Flash Point(C): 101 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves