104-53-0
Product Name:
Phenylpropyl aldehyde
Formula:
C9H10O
Synonyms:
3-Phenylpropanal;3-Phenylpropionaldehyde;Hydrocinnamaldehyde, 3-Phenylpropanal
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless or light yellow liquid; [Acros Organics MSDS] |
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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 |
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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 |
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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.