Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:10:52 UTC |
---|
Update date | 2019-11-26 03:08:55 UTC |
---|
Primary ID | FDB013717 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | (-)-trans-Carveol |
---|
Description | Constituent of Valencia orange essence oil. Flavouring ingredient
Carveol is a natural terpenoid alcohol that is a constituent of spearmint oil. It has an odor and flavor that resemble those of spearmint and caraway. Consequently, it is used as a fragrance in cosmetics and as a flavor additive in the food industry. (-)-trans-Carveol is found in many foods, some of which are spearmint, caraway, citrus, and dill. |
---|
CAS Number | 1197-07-5 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
(-)-(4R,6S)-trans-Carveol | ChEBI | (1S,5R)-Carveol | ChEBI | Carveol | HMDB | (-)-(4R,6S)-Carveol | HMDB | (1S,5R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol | HMDB | (e)-Carveol | HMDB | (±)-trans-carveol | HMDB | trans-(-)-Carveol | HMDB | trans-5-(1-Methylethenyl)-2-methyl-2-cyclohexenol | HMDB | trans-Carveol | HMDB | trans-Mentha-1,8-dien-6-ol | HMDB | (-)-trans-Carveol | HMDB | (-)-(4R,6S)-trans-carveol | biospider | (1S-trans)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-ol | biospider | (1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol | biospider | (4R,6S)-p-mentha-1,8-dien-6-ol | biospider | (4R,6S)-trans-carveol | biospider | 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, (1S,5R)- | biospider | p-Mentha-1,8-dien-6-ol; (-)-trans-form | db_source |
|
---|
Predicted Properties | |
---|
Chemical Formula | C10H16O |
---|
IUPAC name | (1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol |
---|
InChI Identifier | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1 |
---|
InChI Key | BAVONGHXFVOKBV-ZJUUUORDSA-N |
---|
Isomeric SMILES | CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1 |
---|
Average Molecular Weight | 152.2334 |
---|
Monoisotopic Molecular Weight | 152.120115134 |
---|
Classification |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Monoterpenoids |
---|
Direct Parent | Menthane monoterpenoids |
---|
Alternative Parents | |
---|
Substituents | - P-menthane monoterpenoid
- Monocyclic monoterpenoid
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homomonocyclic compound
|
---|
Molecular Framework | Aliphatic homomonocyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Disposition | Route of exposure: Biological location: Source: |
---|
Process | Naturally occurring process: |
---|
Role | Biological role: Industrial application: |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Solid | |
---|
Physical Description | Not Available | |
---|
Mass Composition | C 78.90%; H 10.59%; O 10.51% | DFC |
---|
Melting Point | Not Available | |
---|
Boiling Point | Bp10 102.2-102.4° | DFC |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | [a]D -213 | DFC |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-05nf-9700000000-a75055e28480ba00b820 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-0a5c-9300000000-0497c064b7fcb0223af5 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-05nf-9700000000-a75055e28480ba00b820 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-0a5c-9300000000-0497c064b7fcb0223af5 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-05nf-9700000000-a75055e28480ba00b820 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-0a5c-9300000000-0497c064b7fcb0223af5 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-05nf-9700000000-a75055e28480ba00b820 | Spectrum | GC-MS | (-)-trans-Carveol, non-derivatized, GC-MS Spectrum | splash10-0a5c-9300000000-0497c064b7fcb0223af5 | Spectrum | Predicted GC-MS | (-)-trans-Carveol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0040-9300000000-900d20824e13ff7b371a | Spectrum | Predicted GC-MS | (-)-trans-Carveol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-059l-9420000000-c8fe9a59dae7a88e5d86 | Spectrum | Predicted GC-MS | (-)-trans-Carveol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f79-1900000000-6cbdaa00e43b6a5f1466 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-7900000000-b55dc6268bf1d9facfab | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-1000-9200000000-82efaa1d3034c0a127ad | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-63662b96265d54ab95ac | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-fb53bb25a46fab88d48a | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0frl-6900000000-b30096dc2484f9341f67 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-c751b1e6b18ebbd8226b | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0ue9-0900000000-ff7b348d24f4a9fae768 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0159-5900000000-32379e3babd1cfac9d58 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000l-7900000000-14152f364bee2002ab86 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-002f-9100000000-c417dcb5d6ff023a5c44 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-33b66b0d611b3c8dca5f | 2021-09-25 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 85031 |
---|
ChEMBL ID | CHEMBL1907992 |
---|
KEGG Compound ID | C00964 |
---|
Pubchem Compound ID | 94221 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 15389 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB03450 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | JXJ97-Y:JGG30-V |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | (-)-TRANS-CARVEOL|(-)-CIS-CARVEOL |
---|
BIGG ID | 36494 |
---|
KNApSAcK ID | C00000814 |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
caraway |
- 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
| solvent |
- 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
|
|
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
|
---|