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35154-45-1

35154-45-1 structural image
Product Name: FEMA 3498
Formula: C11H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid/swet, apple-like odour
Boiling Point 98.00 °C. @ 15.00 mm Hg
Solubility soluble in alcohool, most fixed oils; insolouble- water
Density 0.874-0.876
Refractive Index 1.429-1.435
Kovats Retention Index 1218.1 1219 1220 1217 1223 1217 1218

SAFETY INFORMATION

Signal word Warning
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.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.

COMPUTED DESCRIPTORS

Molecular Weight 184.27 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 184.146329876 g/mol
Monoisotopic Mass 184.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 160
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

Cis-3-hexenyl isovalerate is a 3-hexenyl isovalerate in which the double bond adopts cis-configuration. It has a role as an insect attractant and a volatile oil component.