495255
3-Acetoxy-2-methylbenzoic acid
97%
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About This Item
Linear Formula:
CH3CO2C6H3(CH3)CO2H
CAS Number:
Molecular Weight:
194.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Assay
97%
mp
149-151 °C (lit.)
SMILES string
CC(=O)Oc1cccc(C(O)=O)c1C
InChI
1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)
InChI key
LHVJUPHCLWIPLZ-UHFFFAOYSA-N
General description
3-Acetoxy-2-methylbenzoic acid is a benzoic acid derivative.
Application
3-Acetoxy-2-methylbenzoic acid may be used in the preparation 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide and (R)-N-(2,6-dichlorobenzyl)-3-[(2S,3S)-3-(3-hydroxy-2-methylbenzoyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3- thiazolidine-4-carboxamide.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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A novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide: Molecular structural describe, antioxidant activity with use X-ray diffractions and DFT calculations.
Demir S, et al.
Journal of Molecular Structure, 1100, 582-591 (2015)
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
Hidaka K, et al.
Journal of Medicinal Chemistry, 52(23), 7604-7617 (2009)
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