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167533

Methyl 4-tert-butylbenzoate

99%

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About This Item

Linear Formula:
(CH3)3CC6H4CO2CH3
CAS Number:
26537-19-9
Molecular Weight:
192.25
NACRES:
NA.22
PubChem Substance ID:
24850215
UNSPSC Code:
12352100
EC Number:
247-768-5
MDL number:
MFCD00008835
Assay:
99%
Form:
liquid
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assay

99%

form

liquid

refractive index

n20/D 1.51 (lit.)

bp

122-124 °C/9 mmHg (lit.)

density

0.995 g/mL at 25 °C (lit.)

functional group

ester

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

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

270.5 °F

flash_point_c

132.5 °C

ppe

Eyeshields, Gloves

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