Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:28 UTC |
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Update date | 2019-11-26 03:10:45 UTC |
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Primary ID | FDB014789 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (S)-Perillaldehyde |
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Description | Constituent of Perilla nankinensis and gingergrass oils
Perillaldehyde, or perilla aldehyde, is a natural organic compound found most abundantly in the annual herb perilla, but also in a wide variety of other plants and essential oils. It is a monoterpenoid containing an aldehyde functional group.; Perillaldehyde, or perilla aldehyde, is a natural organic compound found most abundantly in the perennial herb perilla, but also in a wide variety of other plants and essential oils. It is a monoterpenoid containing an aldehyde functional group. (S)-Perillaldehyde is found in herbs and spices. |
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CAS Number | 2111-75-3 |
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Structure | |
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Synonyms | Synonym | Source |
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S(-)-Perillaldehyde | ChEMBL | (-)-perillaldehyde | biospider | (4S)-p-Mentha-1,8-dien-7-al | biospider | (S)-(-)-Perillaldehyde | biospider | (S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde | biospider | 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)- | biospider | 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)- | biospider | 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (S)- | biospider | 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl- | biospider | 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, (S)-(-)- | biospider | 1-Perillaldehyde | biospider | 1,8-p-Menthadien-7-al | biospider | 4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde | biospider | 4-(1-methylethenyl)-1-cyclohexene1-carboxyaldehyde | biospider | 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde | biospider | 4-Isopropenyl-1-cyclohexene-1-carbaldehyde | biospider | 4-Isopropenylcyclohex-1-enecarbaldehyde | biospider | 4-mentha-1,8-dien-7-al | biospider | Dihydrocuminyl aldehyde | biospider | DL-perillaldehyde(for perfumery) | biospider | FEMA no. 3557 | HMDB | L-perillaldehyde | biospider | L-perrillaldehyde | biospider | p-Mentha-1,8-dien-7-al | biospider | P-Mentha-1,8-dien-7-al (natural) | HMDB | para-Mentha-1,8-dien-7-al | biospider | Perilla aldehyde | biospider | Perillal | biospider | Perillaldehyde, (+)-isomer | biospider | Perillic aldehyde | biospider | Perillyl aldehyde | biospider | Perillylaldehyde | biospider |
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Predicted Properties | |
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Chemical Formula | C10H14O |
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IUPAC name | (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde |
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InChI Identifier | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
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InChI Key | RUMOYJJNUMEFDD-UHFFFAOYSA-N |
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Isomeric SMILES | [H]C(=O)C1=CCC(CC1)C(C)=C |
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Average Molecular Weight | 150.221 |
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Monoisotopic Molecular Weight | 150.104465071 |
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Classification |
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Description | Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Monoterpenoids |
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Direct Parent | Menthane monoterpenoids |
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Alternative Parents | |
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Substituents | - P-menthane monoterpenoid
- Monocyclic monoterpenoid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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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 | Solid | |
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Physical Description | Not Available | |
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Mass Composition | C 79.96%; H 9.39%; O 10.65% | DFC |
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Melting Point | < 25 oC | |
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Boiling Point | Bp10 104-105° | DFC |
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Experimental Water Solubility | Not Available | |
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Experimental logP | 3.13 | GRIFFIN,S ET AL. (1999) |
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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 | [a]20D -145.8 | DFC |
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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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EI-MS/GC-MS | Not Available |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-1900000000-93f536e9e8fea0a3f499 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-5900000000-782526b3813e79dfb68f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uxu-9100000000-0dd1165ad555b037ef42 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-200f98d44579ee015dd3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0900000000-bb22a8402cb0094ac050 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0159-3900000000-fe4501ac4f2041d44592 | 2016-08-03 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 15589 |
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ChEMBL ID | CHEMBL469537 |
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KEGG Compound ID | C02576 |
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Pubchem Compound ID | 16441 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 15421 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB03647 |
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CRC / DFC (Dictionary of Food Compounds) ID | JXJ69-R:JVV19-W |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | 40121 |
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KNApSAcK ID | C00010871 |
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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 | 18031-40-8 |
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GoodScent ID | rw1023571 |
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SuperScent ID | Not Available |
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Wikipedia ID | Perillyl aldehyde |
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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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fat |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
| fresh |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| green |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| oily |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| grassy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| fatty |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| mint |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| cherry |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| spice |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
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Files |
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MSDS | show |
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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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