104-53-0
Product Name:
Phenylpropyl aldehyde
Formula:
C9H10O
Synonyms:
3-Phenylpropanal;3-Phenylpropionaldehyde;Hydrocinnamaldehyde, 3-Phenylpropanal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless or light yellow liquid; [Acros Organics MSDS] |
|---|---|
| Boiling Point | 97.00 to 98.00 °C. @ 12.00 mm Hg |
| Melting Point | 47 °C |
| Solubility | insoluble in water; soluble in oils |
| Density | 1.008-1.018 |
| Refractive Index | 1.518-1.528 |
| Kovats Retention Index | 1123 1128 1132 1123 1132 1133 1122 1139 1146 1109 1132 1128 |
| Chemical Classes | Other Classes -> Aldehydes |
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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 134.17 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 134.073164938 g/mol |
| Monoisotopic Mass | 134.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 92.9 |
| 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-phenylpropanal is a benzene which is substituted by a 3-oxopropyl group at position 1. It has a role as a flavouring agent and a plant metabolite. It is an aldehyde and a member of benzenes. It is functionally related to a benzene.