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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:
939-97-9
Molecular Weight:
162.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24863644
EC Number:
213-367-9
Beilstein/REAXYS Number:
1906461
MDL number:
MFCD00035742
Assay:
97%
Form:
liquid
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Quality Segment

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.)

functional group

aldehyde

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

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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