81925-81-7
Product Name:
5-METHYL-2-HEPTEN-4-ONE
Formula:
C8H14O
Synonyms:
Filbertone;Hazelnut ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; hazelnut, metallic, buttey odour |
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Solubility | slightly soluble in water; soluble in oils |
Density | 0.845-0.852 |
Refractive Index | 1.440-1.445 |
Kovats Retention Index | 970 972 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 126.20 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 126.104465066 g/mol |
Monoisotopic Mass | 126.104465066 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 114 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-Methyl-2-hepten-4-one is a natural product found in Corylus avellana with data available.