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1604-28-0

1604-28-0 structural image
Product Name: 6-METHYL-3,5-HEPTADIEN-2-ONE
Formula: C8H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless to pale yellow oily liquid; cinnamon-like odour with a coconut undertone
Solubility almost insoluble in water; soluble in oils
Density 0.895-0.899
Refractive Index 1.528-1.537
Kovats Retention Index 1074.9 1074.9 1064 1084 1085 1076 1076 1074 1073 1076 1083 1086

SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 124.18 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 124.088815002 g/mol
Monoisotopic Mass 124.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 148
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

6-Methyl-3,5-heptadien-2-one is a natural product found in Artemisia annua, Curcuma mangga, and other organisms with data available.

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