CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; fresh floral odour reminiscent of benzyl butyrate; intense sweet taste |
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Boiling Point | 212.00 °C. @ 760.00 mm Hg |
Solubility | slightly |
Density | 0.953-0.959 |
Refractive Index | 1.439-1.451 |
Kovats Retention Index | 1209 1202 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H227:Flammable liquids H303:Acute toxicity,oral |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 170.25 g/mol |
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XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 170.130679813 g/mol |
Monoisotopic Mass | 170.130679813 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 137 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cyclohexyl butanoate is a fatty acid ester.