2-Octanone

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Catalog Number
ACM111137
Product Name
2-Octanone
Structure
Structure
CAS
111-13-7
Category
Heterocyclic Organic Compound
Synonyms
Methvlhexanone
IUPAC Name
2-Methylphenol
Molecular Weight
128.21
Molecular Formula
C8H16O
Canonical SMILES
CCCCCCC(=O)C
InChI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChI Key
QWVGKYWNOKOFNN-UHFFFAOYSA-N
Boiling Point
173 °C(lit.)
Melting Point
-16 °C
Flash Point
133 °F
Density
0.819 g/mL at 25 °C(lit.)
Solubility
Soluble in water
Appearance
Liquid
Storage
Sealed in dry, 2-8 °C
Assay
0.98
Complexity
70.8
Defined Atom Stereocenter Count
0
EC Number
203-837-1
Exact Mass
108.057514874
Formal Charge
0
Heavy Atom Count
9
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
MDL Number
MFCD00009540
Monoisotopic Mass
108.057514874
Packaging
100 mL
Physical State
Liquid
Refractive Index
n20/D 1.416(lit.)
Rotatable Bond Count
5
Stability
Stable. Incompatible with strong oxidizing agents. Flammable.
Storage Conditions
Dry place,2-8 °C
Topological Polar Surface Area
20.2 Ų
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