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64344-45-2

64344-45-2 structural image
Product Name: 2-ETHYL-2-HEXENAL
Formula: C8H14O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-ethyl-3-propylacrolein is a yellow liquid. Floats on water. (USCG, 1999)
Color/Form COLORLESS LIQUID
Odor SHARP, POWERFUL IRRITATING ODOR
Boiling Point 347 °F at 760 mmHg (NTP, 1992)
Flash Point 155 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 0.857 at 59 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 4.35 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1 mmHg at 68 °F (NTP, 1992)
Autoignition Temperature 392 °F (USCG, 1999)
Viscosity 0.113 CENTIPOISE AT 20 °C
Heat of Combustion -15,610 BTU/LB= -8670 CAL/G= -363X10+5 JOULES/KG
Surface Tension 28.2 DYNES/CM= 0.0282 NEWTONS/M AT 20 °C
Kovats Retention Index 989
Other Experimental Properties CONVERSION FACTORS: 1 MG/L= 194 PPM; 1 PPM= 5.2 MG/CU M
Chemical Classes Other Classes -> Aldehydes

COMPUTED DESCRIPTORS

Molecular Weight 126.20 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
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 103
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

2-ethyl-3-propylacrolein is a yellow liquid. Floats on water. (USCG, 1999)