| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:53:59 UTC |
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| Updated at | 2020-11-18 16:35:29 UTC |
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| CannabisDB ID | CDB000736 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Xylene |
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| Description | Xylenes are aromatic compounds that contain a benzene ring carrying two methyl groups at different positions (o-, m-, p-). Xylene is possibly neutral. In the plant kingdom xylene is found, on average, in the highest concentration in black walnuts. It has also been detected, but not quantified in several different foods, such as pepper (C. annuum), green bell peppers, parsley, yellow bell peppers, and red bell peppers. Exposure to xylene can occur via inhalation, ingestion, eye or skin contact. It is primarily metabolized in the liver by oxidation of a methyl group and conjugation with glycine to yield methyl hippuric acid, which is excreted in the urine. Smaller amounts are eliminated unchanged in the exhaled air (PMID: 21180450 ). If xylene is ingested one's mouth should be rinsed and vomiting should not be induced. Exposure of pure xylene to eyes can cause redness and pain. All xylene isomers are colorless and highly flammable. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Dimethylbenzene (mixed isomers) | HMDB | | Dimethylbenzenes | HMDB, MeSH | | Except P-xylene, mixed or all isomers | HMDB | | m & P-xylene | HMDB | | m-,P-,O-Xylene | HMDB | | Methyl toluene | HMDB | | Methyltoluene | HMDB | | Mixed or all isomersexcept P -xylene | HMDB | | Mixed or all isomersexcept P-xylene | HMDB | | Mixed xylenes | HMDB | | O-,m-,P-Xylene | HMDB | | Socal aquatic solvent 3501 | HMDB | | Total xylenes | HMDB | | Violet 3 | HMDB | | Xyle ne | HMDB | | Xylene (mixed isomers) | HMDB | | Xylene (mixed) | HMDB | | Xylene (O,m,P isomers) | HMDB | | Xylene (O-, m-, P-isomers) | HMDB | | Xylene (O-,m-,P-) | HMDB | | Xylene mixture | HMDB | | Xylene mixture (m-xylene, O-xylene, P-xylene) | HMDB | | Xylene, (total) | HMDB | | Xylene, acs | HMDB | | Xylene, isomers | HMDB | | Xylene, mixed | HMDB | | Xylene, mixed isomers, pure | HMDB | | Xylenehistological grade | HMDB | | Xylenes | HMDB, MeSH | | Xylenes (O-, m-, P-isomers) | HMDB | | Xylenes mixed isomers | HMDB | | Xylenes, total | HMDB | | Xylene | MeSH |
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| Chemical Formula | C24H30 |
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| Average Molecular Weight | 318.5 |
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| Monoisotopic Molecular Weight | 318.2348 |
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| IUPAC Name | 1,2-xylene; 1,3-xylene; 1,4-xylene |
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| Traditional Name | M-xylene; ortho-xylene; para-xylene |
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| CAS Registry Number | 128686-03-3 |
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| SMILES | CC1=CC=C(C)C=C1.CC1=CC(C)=CC=C1.CC1=CC=CC=C1C |
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| InChI Identifier | InChI=1S/3C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*3-6H,1-2H3 |
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| InChI Key | MVZVDAGWAAZJPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions. |
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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 | Xylenes |
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| Direct Parent | p-Xylenes |
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| Alternative Parents | |
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| Substituents | - P-xylene
- O-xylene
- Aromatic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homomonocyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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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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