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5435-64-3

5435-64-3 structural image
Product Name: 3,5,5-TRIMETHYLHEXANAL
Formula: C9H18O
Synonyms: Green hexanal
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 173 °C
Melting Point less than -60 °C
Flash Point 116 °F; 47 °C; closed cup
Solubility Water solubility = 0.01% at 20 °C
Density 0.820 g/cu cm at 20 °C
Vapor Pressure 0.08 mm Hg at 25 °C (extrapolated)
Decomposition When heated to decomposition it emits acrid smoke and irritating vapors.
Viscosity 1.4 millipascal-sec at 20 °C
Surface Tension 25.5 millinewton/m at 20 °C
Refractive Index Index of refraction = 1.421 at 20 °C/D
Kovats Retention Index 963
Other Experimental Properties When heated to decomposition it emits acrid smoke and irritating vapors.

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 142.24 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 142.135765193 g/mol
Monoisotopic Mass 142.135765193 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 99.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3,5,5-Trimethylhexanal is a fatty aldehyde.