621-82-9
Product Name:
Cinnamic acid
Formula:
C9H8O2
Synonyms:
(2E)-3-Phenyl-2-propenoic acid;trans-3-Phenylacrylic acid;trans-Cinnamic acid;Cinnamic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with a honey floral odor; [Merck Index] White crystalline solid; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 298.00 to 300.00 °C. @ 760.00 mm Hg |
| Melting Point | 133 °C |
| Solubility | 0.546 mg/mL |
| LogP | 2.13 |
| Ionization Efficiency | Positive |
| Dissociation Constants | 4.45 |
| Collision Cross Section | 125.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1462 1450 1428 1394 1408.9 |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| 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 | 148.16 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 148.052429494 g/mol |
| Monoisotopic Mass | 148.052429494 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155 |
| 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
Cinnamic acid is a monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. It has a role as a plant metabolite. It is a member of styrenes and a member of cinnamic acids. It is a conjugate acid of a cinnamate.