2,3-dimethoxyphenol

• ChemBase ID: 89472
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: Oc1c(c(ccc1)OC)OC
• Canonical SMILES: COc1c(OC)cccc1O
• InChI: InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3
• InChIKey: QSZCGGBDNYTQHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxyphenol
• IUPAC Traditional name: 1,3-dimethyl pyrogallate; 2,3-dimethoxyphenol
• Synonyms: 2,3-DIMETHOXYPHENOL; Pyrogallol 1,2-dimethyl ether; 2,3-Dimethoxyphenol 96%; 2,3-Dimethoxyphenol; 邻苯三酚 1,2-二甲醚; 2,3-二甲氧基苯酚

Database IDs

• CAS Number: 5150-42-5
• EC Number: 225-922-2
• MDL Number: MFCD00008366
• Beilstein Number: 1910045
• PubChem SID: 24847716; 162076352
• PubChem CID: 78828

CALCULATED PROPERTIES

• Acid pKa: 10.006644
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3543246
• LogD (pH = 7.4): 1.3532723
• Log P: 1.3543379
• Molar Refractivity: 40.9653 cm^3
• Polarizability: 15.982197 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 233-234 °C(lit.); 233-234°C; 233-234°C
• Flash Point: 108°C; 108°C(226°F); 109 °C; 228.2 °F
• Density: 1.182; 1.182 g/mL at 25 °C(lit.)
• Refractive Index: 1.5390; 1.540; n20/D 1.539(lit.)

Safety Information

• Storage Warning: Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (CH3O)2C6H3OH

DETAILS

MP Biomedicals - 05202368

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126330

Packaging
5, 25 g in glass bottle