Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:36 UTC |
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Update date | 2015-07-20 23:13:46 UTC |
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Primary ID | FDB015024 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | alpha-Pentylcinnamyl alcohol |
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Description | 2-Benzylidene-1-heptanol, also known as a-amylcinnamyl alcohol or 2-pentylcinnamic alcohol, belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. 2-Benzylidene-1-heptanol is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Benzylidene-1-heptanol is an alcohol, floral, and jasmine tasting compound. |
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CAS Number | 101-85-9 |
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Structure | |
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Synonyms | Synonym | Source |
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(2E)-2-Pentyl-3-phenyl-2-propen-1-ol | HMDB | 2-(Phenylmethylene)-1-heptanol | HMDB | 2-(Phenylmethylene)-1-heptanol, 9ci | HMDB | 2-Amyl-3-phenyl-2-propen-1-ol | HMDB | 2-Benzylideneheptanol | HMDB | 2-Pentyl-3-phenyl-2-propen-1-ol | HMDB | 2-Pentyl-3-phenylprop-2-en-1-ol | HMDB | 2-Pentylcinnamic alcohol | HMDB | a-Amylcinnamyl alcohol | HMDB | a-Pentylcinnamyl alcohol | HMDB | alpha-Amylcinnamic alcohol | HMDB | alpha-Amylcinnamyl alcohol | HMDB | alpha-Pentylcinnamyl alcohol | HMDB | Amyl cinnamic alcohol | HMDB | Buxinol | HMDB | FEMA 2065 | HMDB | Α-pentylcinnamyl alcohol | Generator | (2e)-2-Pentyl-3-phenyl-2-propen-1-ol | HMDB | 2-(Phenylmethylene)-1-heptanol, 9CI | db_source | 2-Benzylidene-1-heptanol | manual |
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Predicted Properties | |
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Chemical Formula | C14H20O |
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IUPAC name | (2Z)-2-(phenylmethylidene)heptan-1-ol |
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InChI Identifier | InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11- |
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InChI Key | LIPHCKNQPJXUQF-KAMYIIQDSA-N |
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Isomeric SMILES | CCCCC\C(CO)=C\C1=CC=CC=C1 |
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Average Molecular Weight | 204.308 |
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Monoisotopic Molecular Weight | 204.151415262 |
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Classification |
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Description | belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamyl alcohols |
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Sub Class | Not Available |
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Direct Parent | Cinnamyl alcohols |
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Alternative Parents | |
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Substituents | - Cinnamyl alcohol
- Fatty alcohol
- Fatty acyl
- Benzenoid
- Monocyclic benzene moiety
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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 | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Bp5 141-143° | 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 | |
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External Links |
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ChemSpider ID | 20122674 |
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ChEMBL ID | CHEMBL3182479 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 6076971 |
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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 | HMDB36170 |
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CRC / DFC (Dictionary of Food Compounds) ID | JXY07-U:JXY07-U |
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EAFUS ID | 197 |
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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 | rw1030791 |
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SuperScent ID | 5368491 |
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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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jasmine |
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
| alcohol |
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
| floral |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| jasmin |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| waxy |
- 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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