2-methoxyphenol

• ChemBase ID: 74440
• Molecular Formular: C7H8O2
• Molecular Mass: 124.13722
• Monoisotopic Mass: 124.0524295
• SMILES: O(c1ccccc1O)C
• Canonical SMILES: COc1ccccc1O
• InChI: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
• InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyphenol
• IUPAC Traditional name: guaiacol
• Synonyms: 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; 2-Methoxyphenol; 2-Hydroxyanisole; 2-Methoxyphenol; Guaiacol; o-Methoxyphenol; Methylcatechol; 2-Methoxyphenol, Catechol monomethyl ether, Pyrocatechol monomethyl ether; o-Methoxyphenol; Methyl catechol; GUAIACOL; o-Methoxy-phenol; 1-Hydroxy-2-methoxybenzene; Anastil; Guaiacol; Guaiastil; o-Hydroxyanisole; NSC 3815; 2-甲氧基苯酚; 2-甲氧基苯酚; 儿茶酚单甲醚; 邻羟基苯甲醚; 愈创木酚

Database IDs

• CAS Number: 90-05-1
• EC Number: 201-964-7
• MDL Number: MFCD00002185
• Beilstein Number: 508112
• Merck Index: 144553
• PubChem SID: 162039359; 24873446; 24901124; 24895212
• PubChem CID: 460
• CHEBI ID: 28591
• CHEMBL: 13766
• Chemspider ID: 447
• FEMA ID: 2532
• KEGG ID: D00117
• Unique Ingredient Identifier: 6JKA7MAH9C
• Wikipedia Title: Guaiacol
• Council of Europe Number: 173
• Flavis Number: 4.005

CALCULATED PROPERTIES

• Acid pKa: 9.977541
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5119948
• LogD (pH = 7.4): 1.5108694
• Log P: 1.5120093
• Molar Refractivity: 34.5021 cm^3
• Polarizability: 13.449344 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Light Yellowish Orange Oil
• Melting Point: 26-29 °C; 26-29 °C(lit.); 26-31°C; 28 °C; 28°C; 28-31°C
• Boiling Point: 204-206°C; 204–206 °C; 204-206°C; 205 °C at 1013 hPa; 205 °C(lit.); 205°C
• Flash Point: 179.6 °F; 82 °C (method not stated); 82 °C; 82°C; 82°C(179°F)
• Auto Ignition Point: 750 °C
• Density: 1.112 g/cm^3, liquid; 1.129 g/cm^3, crystals; 1.129; 1.129 g/cm^3 at 21 °C; 1.129 g/ml; 1.129 g/mL at 25 °C(lit.)
• Refractive Index: 1.5430; n20/D 1.543(lit.)
• Vapor Pressure: .137 hPa at 25 °C; 0.11 mmHg ( 25 °C)
• Vapor Density: 4.27 (air = 1); 4.27 (vs air)
• Organoleptic: smoky; woody; medicinal

Safety Information

• Storage Condition: Amber Vial, Refrigerator, Under inert atmosphere; Room Temperature (15-30°C), Protect from light
• Storage Warning: Air & Light Sensitive; Harmful/Irritant/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon
• RTECS: SL7525000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2810
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22-36/38; R:22-36/38
• Safety Statements: 26; S:26
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319
• GHS Precautionary statements: P305 + P351 + P338; P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; ≥98.0%; ≥98.0% (GC); 95+%; 98%; 98+%
• Grade: FG; Halal; Kosher; natural; purum; SAJ first grade
• Linear Formula: (CH3O)C6H4OH

DETAILS

MP Biomedicals - 05214824

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157277

1 ml = approx. 1.11 g
May be liquid at room temperature.

Sigma Aldrich - G5502

Caution
May be liquid at room temperature.
包装
1 kg in glass bottle
100, 250, 500 g in glass bottle
Biochem/physiol Actions
Guaiacol, along with 2,4,6-trichloroanisole, is responsible for cork taint in wine. A method has been developed for extraction and quantitation of the two compounds.1

Sigma Aldrich - G10903

Biochem/physiol Actions
Guaiacol, along with 2,4,6-trichloroanisole, is responsible for cork taint in wine. A method has been developed for extraction and quantitation of the two compounds.1

Sigma Aldrich - W253200

Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10, 25 kg in poly drum
Biochem/physiol Actions
Guaiacol, along with 2,4,6-trichloroanisole, is responsible for cork taint in wine. A method has been developed for extraction and quantitation of the two compounds.1

Sigma Aldrich - 12-1620

Biochem/physiol Actions
Guaiacol, along with 2,4,6-trichloroanisole, is responsible for cork taint in wine. A method has been developed for extraction and quantitation of the two compounds.1

Sigma Aldrich - 50880

Caution
liquid in most cases, may discolor on storage
Biochem/physiol Actions
Guaiacol, along with 2,4,6-trichloroanisole, is responsible for cork taint in wine. A method has been developed for extraction and quantitation of the two compounds.1