167533
Methyl 4-tert-butylbenzoate
99%
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About This Item
Linear Formula:
(CH3)3CC6H4CO2CH3
CAS Number:
Molecular Weight:
192.25
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
247-768-5
MDL number:
Assay:
99%
Form:
liquid
Product Name
Methyl 4-tert-butylbenzoate, 99%
InChI key
UPIJOAFHOIWPLT-UHFFFAOYSA-N
InChI
1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
SMILES string
COC(=O)c1ccc(cc1)C(C)(C)C
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
Application
Methyl 4-tert-butylbenzoate was used in the synthesis of tris(4-tert-butylphenyl)methyl chloride.
General description
Methyl 4-tert-butylbenzoate undergoes Claisen condensation reaction with 4-methoxyacetophenone to give avobenzone, an ingredient of sunscreen products.
signalword
Warning
hcodes
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
Regulatory Information
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The tris (4- tert-butylphenyl) methyl group: a bulky substituant for effective regioselective difunctionalisation of cyclomaltohexaose.
Armspach D and Matt D.
Carbohydrate Research, 310(1), 129-133 (1998)
Guoqing Zhang et al.
Journal of the American Chemical Society, 132(7), 2160-2162 (2010-01-30)
Difluoroboron avobenzone (BF(2)AVB), a simple boron complex of a commercial sunscreen product, exhibits morphology-dependent emission and mechanochromic luminescence in the solid state. When scratched, smeared, or even gently touched, the emission color of BF(2)AVB films is significantly red-shifted under UV
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