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CHEBI:49000 - 2-phenylethanol

ChEBI IDCHEBI:49000
ChEBI Name2-phenylethanol
Stars
DefinitionA primary alcohol that is ethanol substituted by a phenyl group at position 2.
Secondary ChEBI IDsCHEBI:8096, CHEBI:44780
Last Modified24 July 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H10O
Net Charge0
Average Mass122.167
Monoisotopic Mass122.07316
SMILESOCCc1ccccc1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWRMNZCZEMHIOCP-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Aspergillus niger (ncbitaxon:5061) - Article (Phytochemistry, 1988, 27(10), 3169-3173) Strain: var. Tieghem.
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
2-phenylethanol (CHEBI:49000) has role Aspergillus metabolite (CHEBI:76956)
2-phenylethanol (CHEBI:49000) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-phenylethanol (CHEBI:49000) has role fragrance (CHEBI:48318)
2-phenylethanol (CHEBI:49000) has role plant growth retardant (CHEBI:35219)
2-phenylethanol (CHEBI:49000) has role plant metabolite (CHEBI:76924)
2-phenylethanol (CHEBI:49000) is a benzenes (CHEBI:22712)
2-phenylethanol (CHEBI:49000) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
2-(2-hydroxyphenyl)ethanol (CHEBI:64803) has functional parent 2-phenylethanol (CHEBI:49000)
2-(4-hydroxyphenyl)ethanol (CHEBI:1879) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl formate (CHEBI:87417) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl pentanoate (CHEBI:87323) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl pivalate (CHEBI:87336) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl β-primeveroside (CHEBI:136550) has functional parent 2-phenylethanol (CHEBI:49000)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) has functional parent 2-phenylethanol (CHEBI:49000)
phenethyl acetate (CHEBI:31988) has functional parent 2-phenylethanol (CHEBI:49000)
phenethyl benzoate (CHEBI:156233) has functional parent 2-phenylethanol (CHEBI:49000)
phenethyl butyrate (CHEBI:87413) has functional parent 2-phenylethanol (CHEBI:49000)
phenethyl isobutyrate (CHEBI:87409) has functional parent 2-phenylethanol (CHEBI:49000)
IUPAC Name 
2-phenylethanol
Synonyms  Source
Phenylethyl alcoholKEGG COMPOUND
Phenethyl alcoholKEGG COMPOUND
2-PHENYL-ETHANOLPDBeChem
2-HydroxyethylbenzeneChemIDplus
2-PEAChEBI
BenzeneethanolChemIDplus
UniProt Name  Source
2-phenylethanolUniProt
Manual XrefsDatabases
C05853KEGG COMPOUND
PELPDBeChem
DB02192DrugBank
CPD-7035MetaCyc
HMDB0033944HMDB
Phenethyl_alcoholWikipedia
D00192KEGG DRUG
C00002663KNApSAcK
Registry NumbersSources
Beilstein:1905732Beilstein
Gmelin:240469Gmelin
Reaxys:1905732Reaxys
CAS:60-12-8KEGG COMPOUND
CAS:60-12-8ChemIDplus
CAS:60-12-8NIST Chemistry WebBook
Citations