CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; warm, floral and fruity odour |
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Boiling Point | 238.00 °C. @ 760.00 mm Hg |
Solubility | very slightly |
Density | 0.991-0.994 |
Refractive Index | 1.487-1.493 |
Kovats Retention Index | 1446 1405 1431 1416.2 1422 1411 1415 1422 1429 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 192.25 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
Exact Mass | 192.115029749 g/mol |
Monoisotopic Mass | 192.115029749 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 160 |
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 butyrate is the butanoate ester of 2-phenylethanol. It has a role as a metabolite. It is functionally related to a 2-phenylethanol.