14371-10-9
Product Name:
trans-Cinnamaldehyde
Formula:
C9H8O
Synonyms:
(E)-Cinnamaldehyde;trans-3-Phenyl-2-propenal;Cinnamic aldehyde;trans-Cinnamaldehyde;trans-Cinnamic aldehyde, trans-3-Phenyl-2-propenal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Liquid, Other Solid |
|---|---|
| Color/Form | Yellowish oily liquid |
| Odor | PUNGENT, SPICY NOTE |
| Taste | BURNING TASTE |
| Boiling Point | 253 °C @ 760 MM HG (SLIGHT DECOMP) |
| Melting Point | -7.5 °C |
| Flash Point | 160 °F |
| Solubility | Dissolves in about 700 parts water, in about 7 volumes of 60% alcohol. |
| Density | 1.048-1.052 at 25 °C/25 °C |
| Vapor Density | VAPOR DENSITY: 4.6 (AIR= 1) |
| Vapor Pressure | 2.89X10-2 mm Hg at 25 °C |
| LogP | log Kow = 1.90 |
| Odor Threshold | 50-750 ppb |
| Refractive Index | Index of refraction: 1.618-1.623 at 20 °C/D |
| Collision Cross Section | 134.25 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 1227 1243 1257 1235.1 1222 1224 1228 1256 1256 1266 1235 1240 1239 1224 1240 1225 |
| Other Experimental Properties | ACID VALUE: 5 MAXIMUM |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin 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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 132.16 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.057514874 g/mol |
| Monoisotopic Mass | 132.057514874 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(E)-cinnamaldehyde is the E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has a role as a hypoglycemic agent, an EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor, a vasodilator agent, an antifungal agent, a flavouring agent, a plant metabolite and a sensitiser. It is a 3-phenylprop-2-enal and a member of cinnamaldehydes.