Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:05:37 UTC |
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Update date | 2015-07-20 21:50:18 UTC |
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Primary ID | FDB003009 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 10-Undecenyl acetate |
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Description | 10-Undecenyl acetate belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Based on a literature review a small amount of articles have been published on 10-Undecenyl acetate. |
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CAS Number | 112-19-6 |
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Structure | |
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Synonyms | Synonym | Source |
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10-Undecenyl acetic acid | Generator | 1-Undecen-11-yl acetate | HMDB | 10-Hendecen-1-yl acetate | HMDB | 10-Hendecenyl acetate | HMDB | 10-Undecen-1-ol acetate | HMDB | 10-Undecen-1-ol, 1-acetate | HMDB | 10-Undecen-1-ol, acetate | HMDB | 10-Undecen-1-yl acetate | HMDB | Acetate C-11 | HMDB | FEMA 3096 | HMDB | N-Undecylenic acetate | HMDB | Undec-10-enyl acetate | HMDB | Undecenyl acetate | HMDB | Undecylenyl acetate | HMDB | Undec-10-en-1-yl acetic acid | Generator |
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Predicted Properties | |
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Chemical Formula | C13H24O2 |
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IUPAC name | undec-10-en-1-yl acetate |
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InChI Identifier | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3 |
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InChI Key | VCVAXEYHJAFRGM-UHFFFAOYSA-N |
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Isomeric SMILES | CC(=O)OCCCCCCCCCC=C |
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Average Molecular Weight | 212.3285 |
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Monoisotopic Molecular Weight | 212.177630012 |
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Classification |
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Description | Belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty alcohol esters |
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Direct Parent | Fatty alcohol esters |
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Alternative Parents | |
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Substituents | - Fatty alcohol ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- 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 | Not Available |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Biological role: Industrial application: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Liquid | |
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Physical Description | Not Available | |
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Mass Composition | C 73.54%; H 11.39%; O 15.07% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp7 125-127° | 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 | d20 0.88 | DFC |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | 10-Undecenyl acetate, non-derivatized, GC-MS Spectrum | splash10-00kf-9000000000-9fada76dac1e8313efbd | Spectrum | GC-MS | 10-Undecenyl acetate, non-derivatized, GC-MS Spectrum | splash10-00kf-9000000000-9fada76dac1e8313efbd | Spectrum | Predicted GC-MS | 10-Undecenyl acetate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9400000000-74bd96f5c827f81826c9 | Spectrum | Predicted GC-MS | 10-Undecenyl acetate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-5290000000-4d9b2b63d8e4dbc591c1 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9220000000-416dbf81ba94dac6b334 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9100000000-22d0c794e647eb2aaa6c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-08fr-7290000000-4d3f6cf892cd3b67f745 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-8db7575124847420c643 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-10ce90895f77c934cb4c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-1690000000-1660163a6a83c3365986 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-4910000000-efaf82e24c2dcdde4c35 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9300000000-1ca3ef381a28c9353f48 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-07cr-9510000000-2cdbac42538df7008d56 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0apl-9100000000-43b85936d142cbfec5a4 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0aou-9000000000-a934af6919872e57ae11 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 54994 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 61035 |
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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 | HMDB31017 |
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CRC / DFC (Dictionary of Food Compounds) ID | CPX57-B:CPX58-C |
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EAFUS ID | 3811 |
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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 | rw1006581 |
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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 | Flavor | Citations |
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fresh |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| clean |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| laundered cloths |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| rose |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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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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