| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:26:34 UTC |
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| Updated at | 2021-01-06 19:07:02 UTC |
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| CannabisDB ID | CDB006072 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1,3-Diethylbenzene |
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| Description | 1,3-Diethylbenzene belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,3-Diethylbenzene is possibly neutral.1,3-Diethylbenzene is a diethylated derivative of benzene. It consists of a benzene ring with two ethyl substituents attached to it in meta position. 1,3-Diethylbenzene also belongs to the group of compounds known as Diethylbenzenes with the formula C6H4(C2H5)2. There are three known Diethylbenzene including Ortho-, Meta- and Para-diethylbenzene. The meta and para have the greater commercial significance. All isomers are colorless liquids. Diethylbenzenes is produced by alkylation of benzene with ethylene groups. Using shape-selective zeolite catalysts, the para isomer can be produced in high selectivity. Diethylbenzene is used in a mixture with methyl and/or ethyl biphenyls as a low temperature heat transfer fluid.1,3-Diethylbenzene is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C10H14 |
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| Average Molecular Weight | 134.22 |
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| Monoisotopic Molecular Weight | 134.1096 |
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| IUPAC Name | 1,3-diethylbenzene |
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| Traditional Name | M-diethylbenzene |
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| CAS Registry Number | 141-93-5 |
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| SMILES | CCC1=CC(CC)=CC=C1 |
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| InChI Identifier | InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3 |
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| InChI Key | AFZZYIJIWUTJFO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Benzene and substituted derivatives |
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| Alternative Parents | |
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| Substituents | - Monocyclic benzene moiety
- Aromatic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| Physical Properties |
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| State | Not Available |
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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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