| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:53:22 UTC |
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| Updated at | 2020-11-18 16:35:28 UTC |
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| CannabisDB ID | CDB000727 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1,4-Diisopropylbenzene |
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| Description | 1,4-Bis(1-methylethyl)-benzene or 1,4-Diisopropylbenzene or para-Diisopropylbenzene, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. 1,4-Diisopropylbenzene is formally classified as an aromatic hydrocarbon although it is biochemically a monoterpenoid as it is synthesized via isoprene units. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in plastids (PMID: 7640522 ). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. 1,4-Diisopropylbenzene is commercially produced by transalkylation of a benzene with two equivalents of propylene. 1,4-Diisopropylbenzene is used as an intermediate for the synthesis of stabilizers, polymers, synthetic lubricants and hydroperoxides. 1,4-Diisopropylbenzene has also been identified in Cannabis sativa (PMID: 6991645 ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C12H18 |
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| Average Molecular Weight | 162.28 |
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| Monoisotopic Molecular Weight | 162.1409 |
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| IUPAC Name | 1,4-bis(propan-2-yl)benzene |
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| Traditional Name | diisopropylbenzene |
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| CAS Registry Number | 100-18-5 |
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| SMILES | CC(C)C1=CC=C(C=C1)C(C)C |
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| InChI Identifier | InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3 |
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| InChI Key | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
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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 | Aromatic monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Monocyclic monoterpenoid
- Aromatic monoterpenoid
- P-cymene
- Phenylpropane
- Cumene
- Benzenoid
- 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 | 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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