| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:18 UTC |
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| Update date | 2017-01-19 02:36:21 UTC |
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| FoodComEx ID | PC000376 |
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| FoodDB Record | Not Available |
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| Chemical Information |
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| Name | Propanoic acid |
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| Description | Present in apples, fruit juices, beef, beer, bread, cocoa, dairy products, e.g. ripe Swiss or Jarlsberg cheese, and roasted peanuts. Flavouring ingredient. Preservative used especies in bread and mould inhibitors. Propanoic acid is found in many foods, some of which are common mushroom, greenthread tea, butternut squash, and rowal. |
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| CAS Number | 79-09-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Acide propanoique | ChEBI | | Acide propionique | ChEBI | | Adofeed | HMDB | | Antischim b | HMDB | | Carboxyethane | biospider | | CH3-CH2-COOH | ChEBI | | E280 | db_source | | Ethanecarboxylate | biospider | | Ethanecarboxylic acid | db_source | | Ethylformate | Generator | | Ethylformic acid | manual | | FEMA 2924 | db_source | | Luprosil | HMDB | | Metacetonate | biospider | | Metacetonic acid | db_source | | Methyl acetic acid | biospider | | Methylacetate | Generator | | Methylacetic acid | biospider | | MonoProp | HMDB | | N-propionic acid | biospider | | PA | ChEBI | | Propanate | biospider | | Propanoate | biospider | | Propanoic acid (9CI) | biospider | | Propanyl acid | biospider | | Propcorn | HMDB | | Propioate | Generator | | Propioic acid | biospider | | Propionate | biospider | | Propionic acid | db_source | | Propionoic acid | biospider | | Propionsaeure | ChEBI | | Propkorn | HMDB | | Propoate | Generator | | Propoic acid | ChEBI | | Prozoin | HMDB | | Pseudoacetate | Generator | | Pseudoacetic acid | manual | | Toxi-check | HMDB |
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| Chemical Formula | Not Available |
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| IUPAC name | Not Available |
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| InChI Identifier | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
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| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
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| Isomeric SMILES | CCC(O)=O |
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| Average Molecular Weight | 74.0785 |
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| Monoisotopic Molecular Weight | 74.036779436 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Carboxylic acids |
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| Direct Parent | Carboxylic acids |
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| Alternative Parents | |
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| Substituents | - Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | 0.33 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 1000 mg/mL at 25 oC | US EPA (1981) |
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| Melting Point | Mp -21.5° | DFC |
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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 | 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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| AKSci | S067 |
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| AKSci | HMDB0000237 |
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| MetaSci | HMDB0000237 |
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| Toronto Research Chemicals | P786360 |
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