| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:42 UTC |
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| Update date | 2017-01-19 02:36:36 UTC |
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| FoodComEx ID | PC000799 |
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| FoodDB Record | FDB008241 |
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| Chemical Information |
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| Name | 3-Penten-2-one |
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| Description | Flavouring ingredient. Found in roasted peanuts, roasted filbert, cranberry, bilberry, coca, tea and other foods
Methyl propenyl ketone is a volatile organic compound. Methyl propenyl ketone is occasionally found as a volatile component of normal human biofluids. It is found as a volatile in the hawthorn fruit upon ripening, and also is part of the scent components of the urine of some animals. (PMID: 5556886, 16770722, 15739361, 914932) |
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| CAS Number | 625-33-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (3E)-3-Penten-2-one | biospider | | (3E)-pent-3-en-2-one | biospider | | (E)-3-Penten-2-one | biospider | | 2-Oxo-3-pentene | biospider | | 3-Penten-2-one (methyl vinyl ketone) | HMDB | | 3-Penten-2-one (trans) | biospider | | 3-penten-2-one, (3E)- | biospider | | 3-Penten-2-one, (E)- | biospider | | 3-Pentene-2-one | biospider | | Ethylidene acetone | biospider | | FEMA no. 3417 | HMDB | | Methyl 1-propenyl ketone | biospider | | Methyl propenyl ketone | db_source | | pent-3-en-2-one | biospider |
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| Chemical Formula | C5H8O |
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| IUPAC name | (3Z)-pent-3-en-2-one |
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| InChI Identifier | InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3- |
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| InChI Key | LABTWGUMFABVFG-ARJAWSKDSA-N |
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| Isomeric SMILES | C\C=C/C(C)=O |
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| Average Molecular Weight | 84.1164 |
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| Monoisotopic Molecular Weight | 84.057514878 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | Enones |
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| Alternative Parents | |
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| Substituents | - Enone
- Acryloyl-group
- Ketone
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | 0.52 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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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 | 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 | P237790 |
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