1-O-Hexyl-2,3,5-Trimethylhydroquinone

• Catalog Number: ACM148081725-1
• Product Name: 1-O-Hexyl-2,3,5-Trimethylhydroquinone
• CAS: 148081-72-5
• Category: Heterocyclic Organic Compound
• Synonyms: Hthq
• IUPAC Name: 4-Hexoxy-2,3,6-trimethylphenol
• Molecular Weight: 236.35
• Molecular Formula: C15H24O2
• Canonical SMILES: CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C
• InChI: InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
• InChI Key: ATMNQRRJNBCQJO-UHFFFAOYSA-N
• Boiling Point: 357.8±37.0 °C
• Melting Point: 72.5-73 °C
• Flash Point: 154.4ºC
• Density: 0.971±0.06 g/cm3
• Appearance: Pale Yellow Low Melting Solid
• Complexity: 205
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 236.177630004
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 236.177630004
• Physical State: Solid
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 29.5 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

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