3,4-dimethoxyphenol

• ChemBase ID: 80756
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: O(c1c(ccc(c1)O)OC)C
• Canonical SMILES: COc1cc(O)ccc1OC
• InChI: InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
• InChIKey: SMFFZOQLHYIRDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxyphenol
• IUPAC Traditional name: veratryl alcohol; 3,4-dimethoxyphenol
• Synonyms: 3,4-Dimethoxyphenol; 4-Hydroxyveratrole; 3,4-Dimethoxyphenol; 3,4-二甲氧基苯酚

Database IDs

• CAS Number: 2033-89-8
• EC Number: 217-995-4
• MDL Number: MFCD00008390
• Beilstein Number: 1366650
• PubChem SID: 162067876; 24851654
• PubChem CID: 16251

CALCULATED PROPERTIES

• Acid pKa: 9.934265
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3543221
• LogD (pH = 7.4): 1.3530779
• Log P: 1.3543379
• Molar Refractivity: 40.9653 cm^3
• Polarizability: 15.979875 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil
• Melting Point: 79-82 °C(lit.); 79-82°C; 79-82°C
• Boiling Point: 167°C/14mm; 167°C/14mm
• Hydrophobicity(logP): 1.257

Safety Information

• Storage Warning: Irritant/Light Sensitive/Store under Argon; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 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: ≥99.0% (GC); 95%; 97%; 98%
• Grade: purum
• Linear Formula: (CH3O)2C6H3OH

DETAILS

Sigma Aldrich - 194468

Packaging
10 g in glass bottle