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167533 Sigma-Aldrich

Methyl 4-tert-butylbenzoate

99%

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Properties

Related Categories Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   99%
refractive index   n20/D 1.51 (lit.)
bp   122-124 °C/9 mmHg (lit.)
density   0.995 g/mL at 25 °C (lit.)
SMILES string   COC(=O)c1ccc(cc1)C(C)(C)C
InChI   1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChI key   UPIJOAFHOIWPLT-UHFFFAOYSA-N

Description

General description

Methyl 4-tert-butylbenzoate undergoes Claisen condensation reaction with 4-methoxyacetophenone to give avobenzone, an ingredient of sunscreen products.

Application

Methyl 4-tert-butylbenzoate was used in the synthesis of tris(4-tert-butylphenyl)methyl chloride.

Packaging

25 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
>235.4 °F
Flash Point(C) 
>113 °C

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Protocols & Articles
Peer-Reviewed Papers
15

References

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