Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:05:34 UTC |
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Update date | 2019-11-26 02:58:05 UTC |
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Primary ID | FDB002891 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 1-Tetradecanol |
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Description | Tetradecanol, also known as myristic alcohol or kalcohl 40, belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, tetradecanol is considered to be a fatty alcohol lipid molecule. Tetradecanol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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CAS Number | 112-72-1 |
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Structure | |
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Synonyms | Synonym | Source |
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1-Hydroxytetradecane | ChEBI | 1-Tetradecanol | ChEBI | 1-Tetradecyl alcohol | ChEBI | Myristic alcohol | ChEBI | Myristyl alcohol | ChEBI | N-Tetradecanol | ChEBI | N-Tetradecanol-1 | ChEBI | N-Tetradecyl alcohol | ChEBI | Tetradecyl alcohol | ChEBI | Adol 18 | HMDB | Alfol 14 | HMDB | Conol 1495 | HMDB | Kalcohl 40 | HMDB | Kalcohl 4098 | HMDB | Kalcol 4098 | HMDB | Lanette 14 | HMDB | Lanette K | HMDB | Lanette wax KS | HMDB | Lorol C 14 | HMDB | Loxanol V | HMDB | N-Tetradecan-1-ol | HMDB | Nacol 14-95 | HMDB | Tetradecanol (7ci) | HMDB | Tetradecan-1-ol | HMDB | Myristyl alcohol, aluminum salt | HMDB | Tetradecanol | ChEBI | Lanette k | HMDB | Lanette wax ks | HMDB | Myristryl alcohol | biospider |
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Predicted Properties | |
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Chemical Formula | C14H30O |
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IUPAC name | tetradecan-1-ol |
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InChI Identifier | InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3 |
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InChI Key | HLZKNKRTKFSKGZ-UHFFFAOYSA-N |
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Isomeric SMILES | CCCCCCCCCCCCCCO |
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Average Molecular Weight | 214.3874 |
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Monoisotopic Molecular Weight | 214.229665582 |
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Classification |
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Description | Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty alcohols |
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Direct Parent | Long-chain fatty alcohols |
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Alternative Parents | |
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Substituents | - Long chain fatty alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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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 | Solid | |
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Physical Description | Not Available | |
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Mass Composition | C 78.43%; H 14.10%; O 7.46% | DFC |
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Melting Point | Mp 39-39.5° | DFC |
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Boiling Point | Bp10 160° | DFC |
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Experimental Water Solubility | 0.000191 mg/mL at 25 oC | YALKOWSKY,SH & HE,Y (2003) |
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Experimental logP | 6.03 | BURKHARD,LP ET AL. (1985B) |
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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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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | 1-Tetradecanol, 1 TMS, GC-MS Spectrum | splash10-00di-7590000000-977855648ce1bb3be347 | Spectrum | GC-MS | 1-Tetradecanol, non-derivatized, GC-MS Spectrum | splash10-0a4l-9000000000-32d5eef1c4d74b3ec3ba | Spectrum | GC-MS | 1-Tetradecanol, non-derivatized, GC-MS Spectrum | splash10-052f-9000000000-acacbf10a3263c94194f | Spectrum | GC-MS | 1-Tetradecanol, non-derivatized, GC-MS Spectrum | splash10-0a5c-9100000000-2616129ec4a43b6c0102 | Spectrum | GC-MS | 1-Tetradecanol, non-derivatized, GC-MS Spectrum | splash10-00di-7590000000-977855648ce1bb3be347 | Spectrum | Predicted GC-MS | 1-Tetradecanol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0563-9600000000-eec06d9397af9c3a7e99 | Spectrum | Predicted GC-MS | 1-Tetradecanol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9620000000-4b25e0c0e809382e8217 | Spectrum | Predicted GC-MS | 1-Tetradecanol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 1-Tetradecanol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - NA , positive | splash10-006x-4900000000-9984d821b36fbb9446e6 | 2020-07-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00kb-0960000000-3c72c9bef17048b10a31 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-4910000000-9c450227835d31d57a2a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9300000000-e8c01d4094b22e4ad7a0 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0390000000-24c96d483d78255edac3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-1980000000-7c6d57144abbe039abdd | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000w-8900000000-c66ca1bb8fdb18f90e99 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-9340000000-c451e7bae87af519149a | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ab9-9000000000-2e144a890203dcbb17fb | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-cbaa89cc20f0bcb181ab | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0090000000-66f23677a88c1ed92476 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0090000000-d479398c0f5329e2e292 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-08fu-9640000000-3871dae38884d89b8f4d | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 7917 |
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ChEMBL ID | CHEMBL24022 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 8209 |
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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 | HMDB11638 |
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CRC / DFC (Dictionary of Food Compounds) ID | CPB52-Q:CPB52-Q |
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EAFUS ID | 2627 |
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Dr. Duke ID | TETRADECAN-1-OL |
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BIGG ID | Not Available |
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KNApSAcK ID | C00032309 |
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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 | 112-72-1 |
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GoodScent ID | rw1050721 |
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SuperScent ID | Not Available |
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Wikipedia ID | 1-Tetradecanol |
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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 | Name | Gene Name | UniProt ID |
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Fatty acyl-CoA reductase 2 | FAR2 | Q96K12 | Acyl-CoA wax alcohol acyltransferase 2 | AWAT2 | Q6E213 | Fatty acyl-CoA reductase 1 | FAR1 | Q8WVX9 | Acyl-CoA wax alcohol acyltransferase 1 | AWAT1 | Q58HT5 |
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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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coconut |
- 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
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| fruity |
- 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.
| orris |
- 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 | 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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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