Guaiacol

Base Information

• Chemical Name: Guaiacol
• CAS No.: 8001-58-9
• Molecular Weight: 0
• Hs Code.: 27079100
• European Community (EC) Number: 201-964-7,232-287-5
• ICSC Number: 0572
• NSC Number: 760376,3815
• UN Number: 1993
• UNII: 6JKA7MAH9C
• DSSTox Substance ID: DTXSID0023113
• Nikkaji Number: J3.217D
• Wikipedia: Guaiacol
• Wikidata: Q412403
• NCI Thesaurus Code: C76663
• RXCUI: 5031
• Metabolomics Workbench ID: 37774
• ChEMBL ID: CHEMBL13766
• Mol file: 8001-58-9.mol

Synonyms:2-Hydroxy-Anisole;2-Hydroxyanisole;2-Methoxy-Phenol;2-Methoxyphenol;Catechol, Methyl;Guaiacol;Guaicol;Methyl Catechol

Chemical Property of Guaiacol

Chemical Property:

• Appearance/Colour: dark green, brown or yellowish liquid
• Melting Point: 20℃ (approx)
• Boiling Point: typically 200 - 220 (decomposes)
• Flash Point: 74 C
• PSA: 0.00000
• Density: 1.09 g/mL at 20 °C
• LogP: 0.00000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

99%, ^*data from raw suppliers

CREOSOTE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,C
• Hazard Codes: T,C
• Statements: 23/24/25-34-48/20/21/22-68-45
• Safety Statements: 26-36/37/39-45-53

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Biological Agents -> Plant Oils and Extracts
• Canonical SMILES: COC1=CC=CC=C1O
• Recent ClinicalTrials: Research of the Application of Triple Antibiotic Paste in Primary Teeth With Pericpical Periodontitis
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C , especially on spraying.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. Exposure to sun may enhance the irritating effect of this substance. This may result in burns. Ingestion could cause death. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis and hyperpigmentation of skin. This substance is probably carcinogenic to humans.
• Uses: Wood preservative, disinfectant, insecticide.