| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:14:59 UTC |
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| Update date | 2018-05-28 18:52:40 UTC |
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| Primary ID | FDB020376 |
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| Secondary Accession Numbers | |
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| Chemical Information |
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| FooDB Name | (E)-3-Decen-2-one |
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| Description | 3-Decen-2-one, also known as dec-3-en-2-one or fema 3532, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. 3-Decen-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| CAS Number | 10519-33-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (3E)-3-Decen-2-one | HMDB | | Dec-3-en-2-one | HMDB | | Enanthylidene acetone | HMDB | | FEMA 3532 | HMDB | | Heptylidene acetone | HMDB | | Oenanthylidene acetone | HMDB |
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| Predicted Properties | |
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| Chemical Formula | C10H18O |
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| IUPAC name | (3Z)-dec-3-en-2-one |
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| InChI Identifier | InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8- |
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| InChI Key | JRPDANVNRUIUAB-HJWRWDBZSA-N |
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| Isomeric SMILES | CCCCCC\C=C/C(C)=O |
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| Average Molecular Weight | 154.2493 |
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| Monoisotopic Molecular Weight | 154.135765198 |
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| Classification |
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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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| Ontology |
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| Disposition | Biological location: Source: |
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| Role | Industrial application: Biological role: |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 77.87%; H 11.76%; O 10.37% | DFC |
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| Melting Point | Not Available | |
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| Boiling Point | Bp14 105° | DFC |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-002f-9200000000-731d1cee7d7355daae87 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4r-0900000000-162e04ed4328a5e808b9 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052s-9800000000-b3dbcb8b58606b3ccaa8 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0k96-9000000000-a8038bc4ead2139a511b | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-9c6ef078ea61b107007a | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-52a28d31968e84a47bd2 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052u-9600000000-27ab2a6d7172ada5aec0 | JSpectraViewer |
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| External Links |
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| ChemSpider ID | 30776900 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB31410 |
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| CRC / DFC (Dictionary of Food Compounds) ID | CZK29-Z:MRM49-R |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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