3-Methoxybenzoic acid

Basic Information

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CAS Number

586-38-9

Molecular Formula

C8H8O3

Molecular Weight

152.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

105-107 °C

Boiling Point

170-172 °C/10 mmHg

Water Solubility

Soluble in 95% ethanol (50 mg/ml), water (2 mg/ml at 25°C) and methanol.

Flash Point

170-172℃/10mm

Solubility

95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow

Refractive Index

1.4945 (estimate)

SMILES

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COc1cccc(c1)C(=O)O

InChI

InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

XHQZJYCNDZAGLW-UHFFFAOYSA-N

LogP

1.3934

pKa

4.10(at 25℃)

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

144

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

m-Anisic acid
meta-anisic acid
3-Methoxybenzoic acid
M-methoxy benzoic acid
3-ANISIC ACID
3-MeO-Ph-COOH
3-methoxy-benzoic acid
3-methoxy-benzoicaci
3-OMeC6H4COOH
5-methoxybenzoic acid
AURORA 4252
FEMA 3944
m-Anisc Acid
meta-methoxylbenzoic acid
RARECHEM AL BO 0041
m-Methoxybenzoic acid
Benzoic acid, 3-methoxy-
m-Methylsalicylic acid
E2I36FH6QZ
BENZOIC ACID,3-METHOXY
XHQZJYCNDZAGLW-UHFFFAOYSA-N
WLN: QVR CO1
3-Carboxyanisole
3methoxybenzoic acid
PubChem9012
3-methoxylbenzoic aci
3-Methoxybenzoic Acid

MDL Number

MFCD00002499

Customs Code

2918990090

FAQ

What is 3-Methoxybenzoic acid (CAS: 586-38-9)?

3-Methoxybenzoic acid (CAS: 586-38-9) is an aromatic carboxylic acid with the chemical formula C8H8O3. It appears as a white crystalline solid, is soluble in ethanol and methanol, and has a melting point around 150-152°C. The compound contains a methoxy group (-OCH3) at the 3-position of the benzene ring, making it a key intermediate in pharmaceutical and industrial applications.

What are the main uses of 3-Methoxybenzoic acid (CAS: 586-38-9)?

3-Methoxybenzoic acid (CAS: 586-38-9) is widely used in pharmaceuticals as a precursor for drug synthesis, including antifungal and anti-inflammatory agents. It also finds applications in the production of dyes, pesticides, and flavoring compounds. In research, it serves as a reagent for organic synthesis and is relevant in studies related to polymer science and material development.

Is 3-Methoxybenzoic acid (CAS: 586-38-9) safe?

3-Methoxybenzoic acid (CAS: 586-38-9) is generally considered safe when handled properly. However, it should be treated with caution, as direct skin contact or inhalation of vapors may cause irritation. Safety standards recommend using gloves, goggles, and ensuring adequate ventilation. It is not classified as highly toxic but should follow standard chemical safety protocols.

How should 3-Methoxybenzoic acid (CAS: 586-38-9) be stored?

3-Methoxybenzoic acid (CAS: 586-38-9) should be stored in a cool, dry place (below 25°C), away from light, and in a sealed, airtight container. It is stable under normal storage conditions but may degrade if exposed to moisture or high humidity. Always keep it in a well-ventilated area to prevent inhalation risks.