2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-
• CAS No.: 111052-71-2
• Molecular Formula: C19H26 O3
• Molecular Weight: 302.41
• DSSTox Substance ID: DTXSID20149480
• Wikidata: Q83015261
• Mol file: 111052-71-2.mol

Synonyms:111052-71-2;2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-;3-Butyl-7-hydroxy-4-methyl-6-pentyl-2H-1-benzopyran-2-one;3-butyl-7-hydroxy-4-methyl-6-pentylchromen-2-one;3-Butyl-7-hydroxy-4-methyl-6-pentyl-2H-chromen-2-one;DTXSID20149480;LS-39470

Chemical Property of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-

Chemical Property:

• Vapor Pressure: 3.73E-09mmHg at 25°C
• Boiling Point: 462°Cat760mmHg
• Flash Point: 186.9°C
• PSA: 50.44000
• Density: 1.063g/cm³
• LogP: 4.88230
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 302.18819469
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

2H-1-BENZOPYRAN-2-ONE, 3-BUTYL-7-HYDROXY-4-METHYL-6-PENTYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC2=C(C=C1O)OC(=O)C(=C2C)CCCC

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