369578
4-Methylphenyl benzoate
99%
Synonym(s):
p-Tolyl benzoate
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About This Item
Linear Formula:
C6H5CO2C6H4CH3
CAS Number:
Molecular Weight:
212.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
210-380-1
MDL number:
Assay:
99%
Form:
solid
InChI key
LLRZUDIHEZXFGV-UHFFFAOYSA-N
InChI
1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
SMILES string
Cc1ccc(OC(=O)c2ccccc2)cc1
assay
99%
form
solid
mp
70-72 °C (lit.)
functional group
ester, phenyl
General description
4-Methylphenyl benzoate is an ester. Structure of 4-methylphenyl benzoate resembles phenyl benzoate and 4-methoxyphenyl benzoate, in terms of similar geometric parameters. The dihedral angle between the phenyl and benzene rings in 4-methylphenyl benzoate is 60.17 (7)°. Fries rearrangement of 4-methoxyphenyl benzoate catalyzed by sulfated zirconia is reported.
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Genuinely catalytic Fries rearrangement using sulfated zirconia.
Clark JH, et al.
Green Chemistry, 4(4), 366-368 (2002)
4-Methylphenyl benzoate.
Gowda BT, et al.
Acta Crystallographica Section E, Structure Reports Online, 63(8), o3563-o3563 (2007)
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