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 ChemicalBook:CB9262508, eMolecules:495775, ZINC000000968246
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C10H14
Net Charge 0
Average Mass 134.21816
Monoisotopic Mass 134.10955
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:txid164405) Found in leaf (BTO:0000713). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) 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 plant 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 4-isopropylbenzyl alcohol (CHEBI:27628) has functional parent p-cymene (CHEBI:28768)
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-cymene UniProt
p-cymol NIST Chemistry WebBook
p-isopropyltoluene NIST Chemistry WebBook
p-methylcumene NIST Chemistry WebBook
p-methylisopropylbenzene NIST Chemistry WebBook
Para-cymene HMDB
Manual Xrefs Databases
2018 BPDB
C00003040 KNApSAcK
c0375 UM-BBD
C06575 KEGG COMPOUND
CPD-1001 MetaCyc
HMDB0005805 HMDB
LMPR0102090014 LIPID MAPS
P-cymene Wikipedia
View more database links
Registry Numbers Types Sources
1903377 Reaxys Registry Number Reaxys
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
Last Modified
10 March 2017