CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 189.00 °C. @ 12.00 mm Hg |
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LogP | 4.01 |
Kovats Retention Index | 1848 1829 1815 1828 1818 1796 1809 1825 1825 1836 1849 1863 1823 1841 1831.8 1841 1825 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Environment GHS09 |
GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 226.27 g/mol |
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XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
Exact Mass | 226.099379685 g/mol |
Monoisotopic Mass | 226.099379685 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 225 |
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
Phenethyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of 2-phenylethanol. It has a role as a plant metabolite and a volatile oil component. It is functionally related to a benzoic acid and a 2-phenylethanol.