Merck
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384038

Sigma-Aldrich

4-tert-Butylbenzaldehyde

97%

Linear Formula:
(CH3)3CC6H4CHO
CAS Number:
Molecular Weight:
162.23
Beilstein:
1906461
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

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

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This Item
593656631280B90602
tert-Butylbenzene 99%

Sigma-Aldrich

B90602

tert-Butylbenzene

assay

97%

assay

97%

assay

97%

assay

99%

form

liquid

form

-

form

-

form

liquid

refractive index

n20/D 1.53 (lit.)

refractive index

n20/D 1.5480 (lit.)

refractive index

-

refractive index

n20/D 1.492 (lit.)

bp

130 °C/25 mmHg (lit.)

bp

238 °C (lit.)

bp

235-236 °C (lit.)

bp

169 °C (lit.)

density

0.97 g/mL at 25 °C (lit.)

density

0.964 g/mL at 25 °C (lit.)

density

0.927 g/mL at 25 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

Quality Level

200

Quality Level

200

Quality Level

100

Quality Level

200

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.

Signal Word

Danger

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


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

Certificate of Analysis

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Certificate of Origin

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