2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate

Base Information

• Chemical Name: 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate
• CAS No.: 16797-59-4
• Molecular Formula: C25H28 O6
• Molecular Weight: 424.4862
• NSC Number: 88531
• UNII: TJU2B27NFU
• DSSTox Substance ID: DTXSID10937419
• Nikkaji Number: J2.793.205C
• Wikidata: Q27148805
• Mol file: 16797-59-4.mol

Synonyms:TJU2B27NFU;NSC-88531;2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate;UNII-TJU2B27NFU;16797-59-4;2H-1-Benzopyran-8-methanol, 4-ethyl-7-hydroxy-3-(p-methoxyphenyl)-2,2-dimethyl-, diacetate;2H-1-Benzopyran-8-methanol, 7-(acetyloxy)-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-, 8-acetate;(7-Acetyloxy-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-8-yl)methyl acetate;[7-(acetyloxy)-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-2H-1-benzopyran-8-yl]methyl acetate;[7-acetyloxy-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-8-yl]methyl acetate;CHEBI:79679;DTXSID10937419;NSC88531;Q27148805

Chemical Property of 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate

Chemical Property:

• Vapor Pressure: 1.02E-11mmHg at 25°C
• Boiling Point: 539.8°Cat760mmHg
• Flash Point: 231.6°C
• Density: 1.143g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 424.18858861
• Heavy Atom Count: 31
• Complexity: 688

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(OC2=C1C=CC(=C2COC(=O)C)OC(=O)C)(C)C)C3=CC=C(C=C3)OC