All Photos(1)
Synonym(s):
p-Tolyl benzoate
Linear Formula:
C6H5CO2C6H4CH3
CAS Number:
Molecular Weight:
212.24
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
99%
form
solid
mp
70-72 °C (lit.)
SMILES string
Cc1ccc(OC(=O)c2ccccc2)cc1
InChI
1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChI key
LLRZUDIHEZXFGV-UHFFFAOYSA-N
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.
WGK
WGK 2
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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