3,4,5-Trimethylphenol

• Catalog Number: ACM527548
• Product Name: 3,4,5-Trimethylphenol
• CAS: 527-54-8
• Category: Heterocyclic Organic Compound
• Synonyms: Sym-Hemellitenol
• IUPAC Name: 3,4,5-trimethylphenol
• Molecular Weight: 136.19
• Molecular Formula: C9H12O
• Canonical SMILES: CC1=CC(=CC(=C1C)C)O
• InChI Key: FDQQNNZKEJIHMS-UHFFFAOYSA-N
• Boiling Point: 248.5ºC at 760mmHg
• Melting Point: 109-98ºC
• Flash Point: 109.1ºC
• Density: 0.996g/cm³
• Appearance: Crystalline powder
• Complexity: 99
• Defined Atom Stereocenter Count: 0
• EC Number: 208-418-7
• Exact Mass: 136.0888
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 136.0888
• Packing Group: III
• Refractive Index: 1.54 (Predicted)
• Rotatable Bond Count: 0
• Safety Description: S26-S36/37/39-S45
• Topological Polar Surface Area: 20.2 Ų