Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:11:33 UTC |
---|
Update date | 2019-11-26 03:10:59 UTC |
---|
Primary ID | FDB014942 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | D-Linalool |
---|
Description | D-Linalool, also known as (3R)-linalool, belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Thus, D-linalool is considered to be an isoprenoid lipid molecule. D-Linalool is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
---|
CAS Number | 126-90-9 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
(-)-3,7-Dimethyl-1,6-octadien-3-ol | ChEBI | (-)-Linalool | ChEBI | (3R)-3,7-Dimethyl-1,6-octadien-3-ol | ChEBI | (3R)-Linalool | ChEBI | (R)-(-)-Linalool | ChEBI | (R)-3,7-Dimethyl-1,6-octadien-3-ol | ChEBI | (-)-(3R)-Linalool | PhytoBank | (-)-Licareol | PhytoBank | (-)-beta-Linalool | PhytoBank | (-)-β-Linalool | PhytoBank | (3R)-(-)-Linalool | PhytoBank | (R)-Linalool | PhytoBank | Licareol | PhytoBank | l-Licareol | PhytoBank | l-Linalool | PhytoBank | 3,7-Dimethyl-1,6-octadien-3-ol | PhytoBank | (±)-Linalool | PhytoBank | 2,6-Dimethyl-2,7-octadien-6-ol | PhytoBank | 2-Methyl-1-prenyl-3-buten-2-ol | PhytoBank | 3,7-Dimethyl-1,6-octadiene-3-ol | PhytoBank | 3,7-Dimethyl-3-hydroxy-1,6-octadiene | PhytoBank | 3,7-Dimethyl-3-ol-1,6-octadiene | PhytoBank | Linalol | PhytoBank | Linalool | PhytoBank | Linalyl alcohol | PhytoBank | Phantol | PhytoBank | dl-Linalool | PhytoBank | beta-Linalool | PhytoBank | β-Linalool | PhytoBank | (+)-b-Linalool | manual | (+)-linalool | biospider | (+)-S-Linalool | biospider | (3S)-3,7-dimethyl-1,6-octadien-3-ol | biospider | (3S)-3,7-dimethylocta-1,6-dien-3-ol | biospider | (3S)-Linalool | biospider | (s)-(+)-linalool | biospider | (S)-3,7-Dimethyl-1,6-octadien-3-ol | biospider | (s)-linalol | biospider | (s)-linalool | biospider | Coriandrol | manual | d-Linalool | manual |
|
---|
Predicted Properties | |
---|
Chemical Formula | C10H18O |
---|
IUPAC name | (3R)-3,7-dimethylocta-1,6-dien-3-ol |
---|
InChI Identifier | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1 |
---|
InChI Key | CDOSHBSSFJOMGT-SNVBAGLBSA-N |
---|
Isomeric SMILES | CC(C)=CCC[C@](C)(O)C=C |
---|
Average Molecular Weight | 154.2493 |
---|
Monoisotopic Molecular Weight | 154.135765198 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Monoterpenoids |
---|
Direct Parent | Acyclic monoterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Acyclic monoterpenoid
- Tertiary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Ontology | No ontology term |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Not Available | |
---|
Physical Description | Not Available | |
---|
Mass Composition | C 77.87%; H 11.76%; O 10.37% | DFC |
---|
Melting Point | Not Available | |
---|
Boiling Point | Bp20 85-90° | DFC |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Not Available |
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-0405dd8fcdc66cf24c7a | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-1900000000-db461e62c034d983da23 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0lei-9500000000-a32dadbfc03fff9b63f8 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052r-1900000000-b8dd7418c39ef6db8f40 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05nr-9600000000-9d3208f5b352b9b9781c | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gb9-9100000000-4bc6e60fbc702ce661a5 | Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 60523 |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | C11389 |
---|
Pubchem Compound ID | 67179 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 98 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB36102 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | JXL03-D:JXL05-F |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | CORIANDROL|(+)-LINALOOL|(S)-(+)-LINALOOL|D-LINALOOL |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | C00010301 |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | rw1377001 |
---|
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 | Descriptor | ID | Definition | Reference |
---|
anti convulsant | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE |
|
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
sweet |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| floral |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| petitgrain |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| lavender |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
|
|
---|
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).
|
---|