3-butyryl-2H-chromen-2-one

Base Information

• Chemical Name: 3-butyryl-2H-chromen-2-one
• CAS No.: 1846-73-7
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.23
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID60379087
• Wikidata: Q69757846
• ChEMBL ID: CHEMBL1601689
• Mol file: 1846-73-7.mol

Synonyms:3-butyryl-2H-chromen-2-one;1846-73-7;3-butanoylchromen-2-one;3-n-Butyrylcoumarin;SMR000030262;MLS000094709;HMS545N21;3-butyrylcoumarin;2H-1-Benzopyran-2-one,3-(1-oxobutyl)-;Maybridge1_001539;?3-N-BUTYRYLCOUMARIN;3-butanoyl-2H-chromen-2-one;CHEMBL1601689;SCHEMBL13561369;BDBM41328;cid_2774539;DTXSID60379087;HMS2361J05;3-(1-oxobutyl)-1-benzopyran-2-one;AKOS021620253;CCG-233433;FT-0615277;F0919-6467

Chemical Property of 3-butyryl-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 8.63E-07mmHg at 25°C
• Melting Point: 93 °C
• Boiling Point: 405.6°Cat760mmHg
• Flash Point: 183.4°C
• PSA: 47.28000
• Density: 1.205g/cm³
• LogP: 2.77580
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Butyryl-2H-chromen-2-one 95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC2=CC=CC=C2OC1=O