384038
4-tert-Butylbenzaldehyde
97%
Synonym(s):
4-(1,1-Dimethylethyl)benzaldehyde, p-tert-Butylbenzaldehyde, para-tert-Butylbenzaldehyde
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About This Item
Linear Formula:
(CH3)3CC6H4CHO
CAS Number:
Molecular Weight:
162.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
213-367-9
Beilstein/REAXYS Number:
1906461
MDL number:
Assay:
97%
Form:
liquid
Quality Level
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
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Acute 1 - Repr. 2 - Skin Sens. 1
Storage Class
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
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Leon G A van de Water et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 13(28), 8037-8044 (2007-07-12)
The partial oxidation of 4-tert-butyltoluene to 4-tert-butylbenzaldehyde by hydrogen peroxide in glacial acetic acid, catalyzed by bromide ions in combination with cobalt(II) acetate or cerium(III) acetate, has been studied in detail. Based on the observed differences in reaction rates and
Monica Brivio et al.
Lab on a chip, 5(4), 378-381 (2005-03-26)
The integration of a monitoring port along the microfluidic path of a MALDI-chip integrated device is described. Optimization of the microreactor design allows longer reaction and measuring times. The Schiff base reaction between 4-tert-butylaniline (1) and 4-tert-butylbenzaldehyde (2) in ethanol
M Jiménez et al.
Journal of agricultural and food chemistry, 49(8), 4060-4063 (2001-08-22)
A kinetic study of the inhibition of mushroom tyrosinase by 4-substituted benzaldehydes showed that these compounds behave as classical competitive inhibitors, inhibiting the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) by mushroom tyrosinase (o-diphenolase activity). The kinetic parameter (K(I)) characterizing this inhibition was
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 384038-25ML | 04061831965285 |
| 384038-5ML | 04061836684990 |