4-(2-FURYL)-3-BUTEN-2-ONE

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Catalog Number
ACM623154
Product Name
4-(2-FURYL)-3-BUTEN-2-ONE
Structure
Structure
CAS
623-15-4
Category
Heterocyclic Organic Compound
Synonyms
2-Furfurylideneacetone
IUPAC Name
(E)-4-(Furan-2-yl)but-3-en-2-one
Molecular Weight
136.15
Molecular Formula
C8H8O2
Canonical SMILES
CC(=O)C=CC1=CC=CO1
InChI
InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
InChI Key
GBKGJMYPQZODMI-SNAWJCMRSA-N
Boiling Point
112-115ºC 10mm
Melting Point
34-41 °C(lit.)
Flash Point
220 °F
Density
1.0496 g/cm³
Solubility
Insoluble in water
Appearance
Solid
Storage
Under inert gas (nitrogen or argon) at 2-8 °C
Complexity
149
Exact Mass
136.052429494
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
Isomeric SMILES
CC(=O)/C=C/C1=CC=CO1
Monoisotopic Mass
136.052429494
Refractive Index
n20/D 1.565(lit.)
Safety Description
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
Stability
Flammable. Incompatible with strong oxidizing agents.
Topological Polar Surface Area
30.2 Ų
WGK Germany
3
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