2-(2-methoxyphenyl)acetic acid

• ChemBase ID: 70007
• Molecular Formular: C9H10O3
• Molecular Mass: 166.1739
• Monoisotopic Mass: 166.06299418
• SMILES: C(=O)(Cc1c(cccc1)OC)O
• Canonical SMILES: COc1ccccc1CC(=O)O
• InChI: InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
• InChIKey: IVEWTCACRDEAOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)acetic acid
• IUPAC Traditional name: benzeneacetic acid, 2-methoxy-
• Synonyms: 2-(Carboxymethyl)anisole; 2-Methoxyphenylacetic acid 98%; 2-Methoxyphenylacetic acid; o-METHOXYPHENYLACETIC ACID; 2-Methoxy-benzeneacetic Acid; (o-Methoxyphenyl)acetic Acid; 2-Methoxyphenylacetic Acid; o-Anisylacetic Acid; NSC 110708; NSC 16257; 2-Methoxybenzeneacetic Acid; 2-Methoxyphenylacetic acid; 2-甲氧基苯乙酸

Database IDs

• CAS Number: 93-25-4
• EC Number: 202-231-4
• MDL Number: MFCD00004321
• Beilstein Number: 2047573
• PubChem SID: 24850885; 162035732; 24883861
• PubChem CID: 7134

CALCULATED PROPERTIES

• Acid pKa: 4.1180015
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.056748465
• LogD (pH = 7.4): -1.6342139
• Log P: 1.4533229
• Molar Refractivity: 43.8288 cm^3
• Polarizability: 17.051666 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 115-117°C; 122-124 °C; 122-125 °C(lit.); 122-125°C; 122-125°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T); 95+%; 97%; 98%; 99%
• Grade: purum
• Linear Formula: CH3OC6H4CH2CO2H

DETAILS

MP Biomedicals - 05221898

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 180653

Packaging
25 g in poly bottle
5 g in glass bottle