122-72-5
Product Name:
3-PHENYLPROPYL ACETATE
Formula:
C11H14O2
Synonyms:
3-Phenylpropyl acetate;Hydroxycinnamyl acetate, ß-Phenylpropyl acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid, floral spicy odour |
|---|---|
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in oils |
| Density | 1.011-1.020 |
| Refractive Index | 1.494-1.498 |
| Kovats Retention Index | 1341 1345 1345 1363 1363 1335 1347 1347 1359 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
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 | 178.23 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 178.099379685 g/mol |
| Monoisotopic Mass | 178.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 148 |
| 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
3-phenylpropyl acetate is the acetate ester of 3-phenylpropan-1-ol. It has a role as a metabolite and a fragrance. It is a member of benzenes and an acetate ester.