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369578

Sigma-Aldrich

4-Methylphenyl benzoate

99%

Synonym(s):

p-Tolyl benzoate

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About This Item

Linear Formula:
C6H5CO2C6H4CH3
CAS Number:
614-34-6
Molecular Weight:
212.24
EC Number:
210-380-1
MDL number:
MFCD00025982
UNSPSC Code:
12352100
PubChem Substance ID:
24862992
NACRES:
NA.22

Assay

99%

form

solid

mp

70-72 °C (lit.)

functional group

ester
phenyl

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

369578-5G:
369578-25G:
369578-BULK:
369578-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBT8979V
16607LG
07611EF

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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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