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Merck
CN

479349

3-Acetoxybenzoic acid

98%

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About This Item

Linear Formula:
CH3CO2C6H4CO2H
CAS Number:
6304-89-8
Molecular Weight:
180.16
NACRES:
NA.22
PubChem Substance ID:
24871613
UNSPSC Code:
12352100
MDL number:
MFCD00016699
Assay:
98%

Key Documents

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Product Name

3-Acetoxybenzoic acid, 98%

InChI

1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)

SMILES string

CC(=O)Oc1cccc(c1)C(O)=O

InChI key

NGMYCWFGNSXLMP-UHFFFAOYSA-N

assay

98%

mp

131-134 °C (lit.)

functional group

carboxylic acid
ester

Application

3-Acetoxybenzoic acid (3-aBH) may be used as a ligand to prepare:
  • bis-(3-acetoxybenzoato)triphenylantimony(V)
  • bis-(3-acetoxybenzoato)triphenylbismuth(V)
  • [Ln(3-ab)3(N2H4)2]·xH2O (Ln = La,Ce, Pr, Nd, Sm and Gd; N2H4= hydrazine)
It may be used as staring material to synthesize 3-acetoxybenzoyl chloride.

General description

3-Acetoxybenzoic acid (3-ABA), a meta-substituted benzoic acid, is an isomer of aspirin. It can be synthesized by reacting 3-hydroxybenzoic acid with acetic anhydride. The esterification of 3-ABA with 1,1′-carbonyldiimidazole (CDI) in the presence of reactive halides has been reported.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG0050V
MKBG0050
03206CJ
14721TE
18413EB

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Arshad Islam et al.
Molecules (Basel, Switzerland), 19(5), 6009-6030 (2014-05-16)
Two novel organoantimony(V) and two organobismuth(V) complexes of the type ML2 were synthesized, with L = acetylsalicylic acid (HL1) or 3-acetoxybenzoic acid (HL2) and M = triphenylantimony(V) (M1) or triphenylbismuth(V) (M2). Complexes, [M1(L1)2] (1), [M1(L2)2]∙CHCl3 (2), [M2(L1)2], (3) and [M2(L2)2]
Hydrazine Complexes of Lanthanides with 3-Acetoxy-and 4-Acetoxybenzoic Acids: Spectroscopic, Thermal, and XRD Studies.
Helen Pricilla Bai E and Vairam S.
Journal of Chemistry, 2013 (2012)
An improved and convenient synthesis of esters using 1,1'-carbonyldiimidazole and a reactive halide.
Kamijo T, et al.
Chemical & Pharmaceutical Bulletin, 32(12), 5044-5047 (1984)
Semi-synthesis and proteasome inhibition of D-ring deoxy analogs of (-)-epigallocatechin gallate (EGCG), the active ingredient of green tea extract.
Huo C, et al.
Canadian Journal of Chemistry, 86(6), 495-502 (2008)

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