| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-26 01:20:55 UTC |
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| Update Date | 2016-11-09 01:18:56 UTC |
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| Accession Number | CHEM029698 |
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| Identification |
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| Common Name | (+)-Borneol |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (1R,2S,4R)-(+)-Borneol | ChEBI | | (1R,2S,4R)-Borneol | ChEBI | | (1R-endo)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | ChEBI | | Borneocamphor | ChEBI | | D-Borneol | ChEBI | | endo-2-Bornanol | ChEBI | | Sumatra camphor | ChEBI | | Borneol | MeSH | | Isoborneol | MeSH | | Isoborneol, (1R-endo)-isomer | MeSH | | Isoborneol, (1R-exo)-isomer | MeSH | | Isoborneol, (1S-endo)-isomer | MeSH | | Isoborneol, (1S-exo)-isomer | MeSH | | Isoborneol, (endo)-isomer | MeSH | | Isoborneol, (endo-(+-))-isomer | MeSH | | Isoborneol, (exo)-isomer | MeSH | | (+)-(2S)-Borneol | PhytoBank | | (+)-2-Borneol | PhytoBank | | (+)-Borneol | PhytoBank | | (+)-endo-Borneol | PhytoBank | | (1R)-(+)-Borneol | PhytoBank | | (1R)-endo-Borneol | PhytoBank | | (1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | PhytoBank | | d-(+)-Borneol | PhytoBank | | (±)-Borneol | PhytoBank | | 2-Borneol | PhytoBank | | 2-endo-Bornyl alcohol | PhytoBank | | dl-Borneol | PhytoBank | | endo-(±)-Bornan-2-ol | PhytoBank | | endo-2-Hydroxy-1,7,7-trimethylnorbornane | PhytoBank | | endo-Borneol | PhytoBank | | Camphol | PhytoBank |
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| Chemical Formula | C10H18O |
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| Average Molecular Mass | 154.253 g/mol |
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| Monoisotopic Mass | 154.136 g/mol |
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| CAS Registry Number | 464-43-7 |
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| IUPAC Name | (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
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| Traditional Name | (+)-borneol |
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| SMILES | [H][C@]1(O)C[C@@]2([H])CC[C@]1(C)C2(C)C |
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| InChI Identifier | InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1 |
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| InChI Key | DTGKSKDOIYIVQL-WEDXCCLWSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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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 | Bicyclic monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Bicyclic monoterpenoid
- Bornane monoterpenoid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - GC-EI-Q (Non-derivatized) | splash10-0002-9100000000-9d4f533b5d9cf6146f3e | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052r-0900000000-7eaa92cdc2cb1dd17c33 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052r-0900000000-fb1222abb6cef74eb083 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dr-2900000000-622438b8bd224a755c47 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-b64fc5b28acf2b8ce6ee | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-404830ee9ef93bfec2b8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fki-2900000000-5d8542e9c4643c74fa54 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | C00011023 |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 15393 |
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| PubChem Compound ID | 6552009 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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