CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; fruity, ripe apple or pear-like aroma |
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Boiling Point | 108.00 to 109.00 °C. @ 20.00 mm Hg |
Solubility | insoluble in water; soluble in fats |
Density | 0.879-0.885 |
Refractive Index | 1.432-1.438 |
Kovats Retention Index | 1243 1270 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H320:Serious eye damage/eye irritation H401:Hazardous to the aquatic environment, acute hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 184.27 g/mol |
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XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 8 |
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 | 150 |
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 pentanoate is a fatty acid ester.