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3-(1-Oxobutyl)-2H-1-Benzopyran-2-One
[CAS# 1846-73-7]

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Identification
Name 3-(1-Oxobutyl)-2H-1-Benzopyran-2-One
Synonyms 3-(1-Oxobutyl)-2-Chromenone; 3-Butyrylcoumarin; 3-Butyryl-2H-Chromen-2-One
Molecular Structure CAS#: 1846-73-7, 3-(1-Oxobutyl)-2H-1-Benzopyran-2-One
Molecular Formula C13H12O3
Molecular Weight 216.24
CAS Registry Number 1846-73-7
SMILES C1=CC=CC2=C1C=C(C(CCC)=O)C(O2)=O
InChI 1S/C13H12O3/c1-2-5-11(14)10-8-9-6-3-4-7-12(9)16-13(10)15/h3-4,6-8H,2,5H2,1H3
InChIKey HMTUJOLTTSWOHC-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 92-96°C (Expl.)
Boiling point 405.6±33.0°C at 760 mmHg (Cal.)
Flash point 183.3±25.4°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
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