4'-tert-Butylacetophenone Chemical Properties

Melting point:

17-18 °C (dimorphic)(lit.)

Boiling point:

107-108 °C5 mm Hg(lit.)

Density 

0.964 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.52(lit.)

Flash point:

86 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

form 

Liquid

Specific Gravity

0.964

color 

Clear colorless

Water Solubility 

insoluble

Cosmetics Ingredients Functions

PERFUMING

InChI

1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3

InChIKey

UYFJYGWNYQCHOB-UHFFFAOYSA-N

SMILES

CC(=O)c1ccc(cc1)C(C)(C)C

LogP

3.521 (est)

CAS DataBase Reference

943-27-1(CAS DataBase Reference)

NIST Chemistry Reference

Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-(943-27-1)

EPA Substance Registry System

Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]- (943-27-1)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

10-36/37/38-20/21/22

Safety Statements 

16-29-33-36/37/39-26

RIDADR 

UN 1224 3/PG 3

WGK Germany 

2

TSCA 

TSCA listed

HazardClass 

3.2

PackingGroup 

III

HS Code 

29143990

Storage Class

3 - Flammable liquids

Hazard Classifications

Flam. Liq. 3

MSDS

• Language:English Provider:1-[4-(tert-Butyl)phenyl]ethan-1-one
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4'-tert-Butylacetophenone Usage And Synthesis

Chemical Properties

clear colorless liquid

Uses

4'-tert-Butylacetophenone is used in the synthesis of 2-pyridone derivatives.

Uses

4′-tert-Butylacetophenone may be used in the synthesis of 2-pyridone derivatives and their fluorescence spectra has been evaluated.

Uses

4-tert-Butylacetophenone is an Impurity arising in the synthesis of Ebastine (E320000). Ebastine Impurity B.

General Description

4′-tert-Butylacetophenone is a para-substituted acetophenone.

Synthesis

p-Tert-butyl acetophenone was prepared as follows: in a 2 ml reaction vial 2-(4-(tert-butyl)phenyl)propan-2-ol (59.4 mg, 0.3 mmol), AgNO3 (1.6 mg, 3 mol%), Bi(OTf)3 (6 mg, 3 mol%) and K2S2O8 (245.8 mg. 3eq), and finally 2 wt% aqueous DAPGS-750-M (0.6 ml, 0.5 M) was added, followed by capping the reaction vial and stirring. After the stirring of the reaction solution, the reaction was extracted three times using ethyl acetate, and the organic phases of several extractions were combined into a 50 mL aubergine flask and processed for about 5 min using a Heidolph rotary evaporator with a rotational speed of 120 rpm, a temperature of 38 ??C, and a vacuum of 0.1 MPa, followed by column chromatography using a 200-mesh column chromatography silica gel with a unfolding agent of petroleum ether: ethyl acetate = 20: 1 Around, the target compound p-tert-butyl acetophenone was isolated. (42.8 mg, 81% yield, 98% purity by HPLC analysis, from the NMR profile, signal, noise, etc. can also reflect the product purity is very high).

4'-tert-Butylacetophenone(943-27-1)Related Product Information

• 4-tert-Butylphenol
• Butyl acetate
• PHENYL VALERATE
• 4'-Hydroxyacetophenone
• PIPERACETAZINE (250 MG)
• 4'-Bromoacetophenone
• BOURGEONAL
• 4-Nitroacetophenone
• 4'-Chloroacetophenone
• 4-tert-Butylbenzyl chloride
• 4'-tert-Butyl-4-chlorobutyrophenone
• Methyl 4-tert-butylbenzoate
• 4-tert-Butylcatechol
• 4-tert-Butylbenzoyl chloride
• Buprofezin
• Phenylhydrazine
• 4-TERT-BUTYLBENZYL ALCOHOL
• 4'-Methoxyacetophenone