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CHEBI:28768 - p-cymene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name p-cymene
ChEBI ID CHEBI:28768
ChEBI ASCII Name p-cymene
Definition A monoterpene that is toluene substituted by an isopropyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10624, CHEBI:25825
Supplier Information
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Formula C10H14
Net Charge 0
Average Mass 134.21816
Monoisotopic Mass 134.110
InChI InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey HFPZCAJZSCWRBC-UHFFFAOYSA-N
SMILES CC(C)c1ccc(C)cc1
Metabolite of Species Details
Melaleuca alternifolia (NCBI:164405) Found in leaf (BTO:0000713). See: PubMed
Homo Sapiens (NCBI:9606) Found in urine (BTO:0001419). See: PubMed
Homo Sapiens (NCBI:9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing p-cymene (CHEBI:28768) has role human urinary metabolite (CHEBI:84087)
p-cymene (CHEBI:28768) has role plant metabolite (CHEBI:76924)
p-cymene (CHEBI:28768) has role volatile oil component (CHEBI:27311)
p-cymene (CHEBI:28768) is a monoterpene (CHEBI:35187)
p-cymene (CHEBI:28768) is a toluenes (CHEBI:27024)
Incoming carvacrol (CHEBI:3440) has parent hydride p-cymene (CHEBI:28768)
thymol (CHEBI:27607) has parent hydride p-cymene (CHEBI:28768)
tea tree oil (CHEBI:83629) has part p-cymene (CHEBI:28768)
IUPAC Name
4-methyl-1-(propan-2-yl)benzene
Synonyms Sources
1-isopropyl-4-methylbenzene IUPAC
1-methyl-4-(1-methylethyl)benzene NIST Chemistry WebBook
1-methyl-4-(propan-2-yl)benzene HMDB
1-methyl-4-isopropylbenzene NIST Chemistry WebBook
4-cymene ChemIDplus
4-Isopropyl-1-methylbenzene HMDB
4-Isopropyltoluene HMDB
4-Methyl-1-isopropylbenzene HMDB
Cymene HMDB
Isopropyltoluene HMDB
p-cimene NIST Chemistry WebBook
p-Cymene KEGG COMPOUND
p-cymol NIST Chemistry WebBook
p-isopropyltoluene NIST Chemistry WebBook
p-methylcumene NIST Chemistry WebBook
p-methylisopropylbenzene NIST Chemistry WebBook
Para-cymene HMDB
Database Links Databases
C00003040 KNApSAcK
c0375 UM-BBD
C06575 KEGG COMPOUND
CPD-1001 MetaCyc
HMDB05805 HMDB
LMPR0102090014 LIPID MAPS
P-cymene Wikipedia
View more database links
Registry Numbers Types Sources
1903377 Reaxys Registry Number Reaxys
1903377 Beilstein Registry Number Beilstein
305912 Gmelin Registry Number Gmelin
99-87-6 CAS Registry Number KEGG COMPOUND
99-87-6 CAS Registry Number NIST Chemistry WebBook
99-87-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11341314 PubMed citation Europe PMC
15508832 PubMed citation Europe PMC
17826989 PubMed citation Europe PMC
19040104 PubMed citation Europe PMC
24023812 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
Last Modified
24 March 2016