| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:55 UTC |
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| Update date | 2017-01-19 02:36:25 UTC |
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| FoodComEx ID | PC000492 |
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| FoodDB Record | FDB012052 |
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| Chemical Information |
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| Name | Cinnamic acid |
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| Description | Cinnamic acid is a white crystalline hydroxycinnamic acid, which is slightly soluble in water. It is obtained from oil of cinnamon, or from balsams such as storax. Cinnamic acid is found in many foods, some of which are green bell pepper, olive, pepper (spice), and pear. |
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| CAS Number | 621-82-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (2Z)-3-Phenyl-2-propenoate | Generator | | (2Z)-3-Phenylacrylate | Generator | | (Z)-3-Phenyl-2-propenoate | Generator | | (Z)-Cinnamate | Generator | | β-Phenylacrylic acid | biospider | | 2-Propenoic acid, 3-phenyl- | biospider | | 3-Phenyl-2-propenoate | biospider | | 3-Phenyl-2-propenoic acid | HMDB | | 3-Phenyl-acrylate | biospider | | 3-Phenyl-acrylic acid | biospider | | 3-Phenylacrylate | biospider | | 3-Phenylacrylic acid | db_source | | 3-Phenylprop-2-enoic acid | biospider | | 3-Phenylpropenoate | biospider | | 3-Phenylpropenoic acid | biospider | | b-Phenylacrylic acid | biospider | | Benzeneacrylic acid | biospider | | Benzenepropenoate | biospider | | Benzenepropenoic acid | biospider | | Benzylideneacetic acid | biospider | | beta-Phenylacrylic acid | biospider | | Cinnamate | biospider | | Cinnamic acid, 8CI | db_source | | Cinnamylic acid | biospider | | cis-b-Carboxystyrene | Generator | | cis-Cinnamate | Generator | | cis-Zimtsaeure | ChEBI | | cis-β-carboxystyrene | Generator | | FEMA 2288 | db_source | | Phenylacrylate | biospider | | Phenylacrylic acid | biospider | | Phenylethylenecarboxylic acid | biospider |
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| Chemical Formula | C9H8O2 |
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| IUPAC name | (2E)-3-phenylprop-2-enoic acid |
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| InChI Identifier | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6- |
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| InChI Key | WBYWAXJHAXSJNI-SREVYHEPSA-N |
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| Isomeric SMILES | OC(=O)\C=C/C1=CC=CC=C1 |
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| Average Molecular Weight | 148.1586 |
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| Monoisotopic Molecular Weight | 148.0524295 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Cinnamic acids and derivatives |
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| Sub Class | Cinnamic acids |
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| Direct Parent | Cinnamic acids |
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| Alternative Parents | |
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| Substituents | - Cinnamic acid
- Styrene
- Benzenoid
- Monocyclic benzene moiety
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 2.13 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 0.57 mg/mL at 25 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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| Melting Point | 132-135 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 200 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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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 | C442030 |
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