| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:36 UTC |
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| Update date | 2017-01-19 02:36:35 UTC |
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| FoodComEx ID | PC000772 |
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| FoodDB Record | FDB008781 |
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| Chemical Information |
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| Name | 3-Phenyl-2-propenal |
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| Description | Cinnamaldehyde is the organic compound that gives cinnamon its flavor and odor. This pale yellow viscous liquid occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum. The essential oil of cinnamon bark is about 90% cinnamaldehyde. 3-Phenyl-2-propenal is found in many foods, some of which are fig, cloves, anise, and wild celery. |
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| CAS Number | 104-55-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (e)-3-Phenyl-propenal | ChEBI | | (e)-Phenylvinyl aldehyde | ChEBI | | 2-Propenal, 3-phenyl- | biospider | | 2-Propenaldehyde, 3-phenyl- | biospider | | 3-Fenylpropenal | HMDB | | 3-Phenyl-2-propen-1-al | biospider | | 3-Phenyl-2-propenaldehyde | biospider | | 3-Phenylacrolein | db_source | | 3-Phenylacrylaldehyde | biospider | | 3-Phenylprop-2-enal | biospider | | 3-Phenylprop-2-enaldehyde | biospider | | 3-Phenylpropenal | biospider | | Benzylideneacetaldehyde | biospider | | beta-Phenylacrolein | biospider | | beta-Phenylcrolein | biospider | | Cinnamal | db_source | | Cinnamaldehyde | ChEBI | | Cinnamaldehyde, 8CI | db_source | | Cinnamic aldehyde | db_source | | Cinnamyl aldehyde | biospider | | Cinnamylaldehyde | HMDB | | Cinnemaldehyde | HMDB | | FEMA 2286 | db_source | | Propenaldehyde, 3-phenyl- | biospider | | Zimtaldehyde | biospider |
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| Chemical Formula | C9H8O |
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| IUPAC name | (2Z)-3-phenylprop-2-enal |
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| InChI Identifier | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- |
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| InChI Key | KJPRLNWUNMBNBZ-DAXSKMNVSA-N |
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| Isomeric SMILES | O=C\C=C/C1=CC=CC=C1 |
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| Average Molecular Weight | 132.1592 |
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| Monoisotopic Molecular Weight | 132.057514878 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Cinnamaldehydes |
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| Sub Class | Not Available |
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| Direct Parent | Cinnamaldehydes |
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| Alternative Parents | |
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| Substituents | - Cinnamaldehyde
- Styrene
- Benzenoid
- Monocyclic benzene moiety
- Enal
- Alpha,beta-unsaturated aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 1.90 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 1.42 mg/mL at 25 oC | VALVANI,SC et al. (1981) |
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| Melting Point | -7.5 oC | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Toronto Research Chemicals | C442005 |
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