4-(2-Methoxy-2-oxoethyl)benzoic acid

Basic Information

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CAS Number

87524-66-1

Molecular Formula

C10H10O4

Molecular Weight

194.19 g/mol

Basic Physical Properties

Melting Point

136 ºC

Density

1.254±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC(=O)Cc1ccc(cc1)C(=O)O

InChI

InChI=1S/C10H10O4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

LUFHLJPQDOKZKU-UHFFFAOYSA-N

LogP

1.1003

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

216

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-(2-methoxy-2-oxoethyl)benzoic acid
4-[(Methoxycarbonyl)methyl]benzoic acid
LUFHLJPQDOKZKU-UHFFFAOYSA-N
4-Methoxycarbonylmethyl-benzoic acid
AK320299
4-((methoxycarbonyl) methyl)benzoic acid
4-Carboxy-benzeneacetic acid methyl ester
4-[2-(Methyloxy)-2-oxoethyl]benzoic acid
Benzeneacetic acid, 4-carboxy-, a-methyl ester
Z2510258120
4-(2-methoxy-2-oxo-ethyl)benzoic acid
1-Methyl 4-carboxybenzeneacetate (ACI)
Benzeneacetic acid, 4-carboxy-, α-methyl ester (9CI)
p-Toluic acid, α-carboxy-, α-methyl ester (6CI)
Methyl (4-carboxyphenyl)acetate
α-Methyl 4-carboxyphenylacetic acid

MDL Number

MFCD18782075

FAQ

What are the physical and chemical properties of 4-(2-Methoxy-2-oxoethyl)benzoic acid (CAS: 87524-66-1)?

4-(2-Methoxy-2-oxoethyl)benzoic acid is a white crystalline solid with a molecular weight of approximately 228.22 g/mol. It has low solubility in water but good solubility in organic solvents like ethanol and acetone. Chemically, it is reactive and easily forms salts with bases. It can undergo esterification and amide formation reactions.

How is 4-(2-Methoxy-2-oxoethyl)benzoic acid (CAS: 87524-66-1) typically synthesized?

4-(2-Methoxy-2-oxoethyl)benzoic acid can be synthesized by esterification of 2-methoxyacetic acid with benzoic anhydride. The reaction typically involves heating the mixture under reflux conditions in the presence of a catalyst like sulfuric acid. The yield is usually around 75-85% with good selectivity.

What industries use 4-(2-Methoxy-2-oxoethyl)benzoic acid (CAS: 87524-66-1)?

4-(2-Methoxy-2-oxoethyl)benzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer or additive. Additionally, it is used in the production of sensors and as a reagent in analytical chemistry and semiconductor manufacturing.

What precautions should be taken when handling 4-(2-Methoxy-2-oxoethyl)benzoic acid (CAS: 87524-66-1)?

When handling 4-(2-Methoxy-2-oxoethyl)benzoic acid, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from heat sources. In case of spill, use appropriate spill cleanup methods as outlined in the SDS. Always conduct reactions in a fume hood to minimize inhalation risk.