CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid/swet, apple-like odour |
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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 |
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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. 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 |
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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.