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CHEBI:147331 - 2-propylphenol

ChEBI IDCHEBI:147331
ChEBI Name2-propylphenol
Stars
DefinitionA member of the class of phenols that is phenol which is substituted by a propyl group at position 2.
Last Modified19 May 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H12O
Net Charge0
Average Mass136.194
Monoisotopic Mass136.08882
SMILESCCCc1ccccc1O
InChIInChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKeyLCHYEKKJCUJAKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Wollemia nobilis (ncbitaxon:56998) leaf (BTO:0000713) DOI (10.1016/j.agee.2009.08.009)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
2-propylphenol (CHEBI:147331) has role flavouring agent (CHEBI:35617)
2-propylphenol (CHEBI:147331) has role plant metabolite (CHEBI:76924)
2-propylphenol (CHEBI:147331) is a phenols (CHEBI:33853)
IUPAC Name 
2-propylphenol
Synonyms  Source
1-(2-hydroxyphenyl)propaneChemIDplus
1-hydroxy-2-propylbenzeneSUBMITTER
1-hydroxy-2-n-propylbenzeneChemIDplus
2-n-propylphenolChemIDplus
o-propylphenolChemIDplus
UniProt Name  Source
2-propylphenolUniProt
Manual XrefsDatabases
CPD-14147MetaCyc
HMDB0032624HMDB
FDB010568FooDB
JZ4PDBeChem
Registry NumbersSources
Reaxys:1363932Reaxys
CAS:644-35-9ChemIDplus
CAS:644-35-9NIST Chemistry WebBook
Citations