2,6-dimethoxyphenol

• ChemBase ID: 89470
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: Oc1c(cccc1OC)OC
• Canonical SMILES: COc1cccc(c1O)OC
• InChI: InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
• InChIKey: KLIDCXVFHGNTTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxyphenol
• IUPAC Traditional name: 2,6-dimethoxyphenol
• Synonyms: Syringol; 2,6-Dimethoxyphenol; 2-Hydroxy-1,3-dimethoxybenzene; Pyrogallol 1,3-dimethyl ether; Syringol; 2,6-Dimethoxyphenol; 2,6-Dimethoxyphenol; 2,6-Dimethoxyphenol 97%; 邻苯三酚 1,3-二甲醚; 2,6-二甲氧基苯酚

Database IDs

• CAS Number: 91-10-1
• EC Number: 202-041-1
• MDL Number: MFCD00064434
• Beilstein Number: 1526871
• PubChem SID: 24901483; 24864183; 24893268; 162076350
• PubChem CID: 7041
• CHEBI ID: 955
• CHEMBL: 109652
• Chemspider ID: 6774
• FEMA ID: 3137
• Unique Ingredient Identifier: 4UQT464H8K
• Wikipedia Title: Syringol
• Council of Europe Number: 2233
• Flavis Number: 4.036

CALCULATED PROPERTIES

• Acid pKa: 9.372544
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3542801
• LogD (pH = 7.4): 1.3497694
• Log P: 1.3543379
• Molar Refractivity: 40.9653 cm^3
• Polarizability: 15.982141 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Gray to light brown solid
• Melting Point: 50-57 °C(lit.); 50–57 °C; 50-57°C; 52-56 °C; 53-55°C; 53-56 °C
• Boiling Point: 206-262°C; 261 °C(lit.); 261°C; 261°C
• Flash Point: 140 °C; 140°C(284°F); 284 °F
• Organoleptic: meaty; smoky

Safety Information

• Storage Warning: Irritant
• RTECS: SL0900000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Gene Information: human ... GABRA1(2554)
• Allergens: no known allergens

Product Information

• Purity: ≥97.0% (GC); ≥98%; 98%; 99%
• Grade: FG; Halal; Kosher; NI; purum
• Linear Formula: (CH3O)2C6H3OH

DETAILS

Sigma Aldrich - D135550

Packaging
25, 100 g in glass bottle

Sigma Aldrich - W313718

Packaging
1 kg in glass bottle
1 sample in glass bottle
100, 500 g in glass bottle
5, 10 kg in poly drum

REFERENCES

• For a study of the direct dilithiation of alkoxyphenols, see: J. Org. Chem., 55, 3902 (1990).