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CHEBI:89263 - 1-Isopropyl-2-methylbenzene

ChEBI IDCHEBI:89263
ChEBI Name1-Isopropyl-2-methylbenzene
Stars
Last Modified19 February 2018
DownloadsMolfile
FormulaC10H14
Net Charge0
Average Mass134.222
Monoisotopic Mass134.10955
SMILESCc1ccccc1C(C)C
InChIInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChIKeyWWRCMNKATXZARA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (24023812)
faeces (UBERON:0001988) PubMed (19167006)
saliva (UBERON:0001836) PubMed (24657864)
ChEBI Ontology
Outgoing Relation(s)
1-Isopropyl-2-methylbenzene (CHEBI:89263) is a alkylbenzene (CHEBI:38976)
Synonyms  Source
1-Methyl-2-(1-methylethyl)-BenzeneHMDB
O-IsopropyltolueneHMDB
1-methyl-2-(propan-2-yl)benzeneHMDB
Ortho-cymeneHMDB
Cymene, orthoHMDB
2-IsopropyltolueneHMDB
Manual XrefsDatabases
C00010974KNApSAcK
HMDB0037050HMDB
Registry NumbersSources
CAS:527-84-4KEGG COMPOUND
Citations