| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:53:29 UTC |
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| Updated at | 2020-11-18 16:35:28 UTC |
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| CannabisDB ID | CDB000729 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Diethyl carbitol |
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| Description | Diethyl carbitol also known as Ethyl diglyme or 2-Ethoxyethyl ether is an ethylated derivative of Carbitol. It belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. More specifically, Diethyl carbitol is a polyether that consists of undecane skeleton in which the carbon atoms at positions 3, 6 and 9 are replaced by oxygen atoms. Diethyl carbitol is a clear colorless viscous liquid produced by the ethoxylation of ethanol. It is a very polar, slow evaporating, water miscible solvent with a low odor. It is a popular solvent for commercial applications where it is used for dyes, nitrocellulose, paints, inks, and epoxy resins. It is a component of wood stains for wood, for setting the twist and conditioning yarns and cloth, in textile printing, textile soaps, lacquers, penetration enhancer in cosmetics, drying varnishes and enamels, and brake fluids. It is used to determine the saponification values of oils and as a neutral solvent for mineral oil-soap and mineral oil-sulfated oil mixtures (giving fine dispersions in water). It is not a natural product but is found in trace amounts from extracted plant products. As a result, it can be found in hemp, CBD or cannabis oils. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1,5-Diethoxy-3-oxapentane | ChEBI | | 3,6,9-Trioxaundecane | ChEBI | | Diethyl carbitol | ChEBI | | Diethyldiethylene glycol | ChEBI | | Diethylene glycol diethyl ether | ChEBI | | Ethyl diglyme | ChEBI |
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| Chemical Formula | C8H18O3 |
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| Average Molecular Weight | 162.23 |
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| Monoisotopic Molecular Weight | 162.1256 |
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| IUPAC Name | 1-ethoxy-2-(2-ethoxyethoxy)ethane |
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| Traditional Name | bis (2-ethoxy ethyl) ether |
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| CAS Registry Number | 112-36-7 |
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| SMILES | CCOCCOCCOCC |
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| InChI Identifier | InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3 |
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| InChI Key | RRQYJINTUHWNHW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Ethers |
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| Direct Parent | Dialkyl ethers |
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| Alternative Parents | |
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| Substituents | - Dialkyl ether
- Hydrocarbon derivative
- 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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|
Not Available | | Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| Spectra |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| GC-MS | Diethyl carbitol, non-derivatized, GC-MS Spectrum | splash10-0592-9000000000-4e9ad418fc4bb959f015 | Spectrum |
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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 | splash10-03di-1900000000-b7c198d76cc406be2ae5 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-7900000000-949c46fbb94f567fc71f | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-50be510ef4216521d892 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2900000000-d297a69e0bdf7d61adbc | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-5900000000-e8c394b0aea5877591dd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9200000000-a5293d06dea3307a2311 | 2016-08-03 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | DB08357 |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Diethylene_glycol_diethyl_ether |
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| METLIN ID | Not Available |
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| PubChem Compound | 8179 |
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| PDB ID | Not Available |
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| ChEBI ID | 44664 |
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| References |
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| General References | Not Available |
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