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CHEBI:49000 - 2-phenylethanol

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ChEBI Name 2-phenylethanol
ChEBI ID CHEBI:49000
Definition A primary alcohol that is ethanol substituted by a phenyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8096, CHEBI:44780
Supplier Information
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Formula C8H10O
Net Charge 0
Average Mass 122.16440
Monoisotopic Mass 122.073
InChI InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey WRMNZCZEMHIOCP-UHFFFAOYSA-N
SMILES OCCc1ccccc1
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Aspergillus niger (NCBI:5061) of strain var. Tieghem. See: Phytochemistry, 1988, 27(10), 3169-3173
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
plant growth retardant

Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 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)
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 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 Sources
2-Hydroxyethylbenzene ChemIDplus
2-PEA ChEBI
2-PHENYL-ETHANOL PDBeChem
2-Phenylethanol KEGG COMPOUND
Benzeneethanol ChemIDplus
Benzylmethanol ChemIDplus
β-PEA NIST Chemistry WebBook
β-Phenethyl alcohol NIST Chemistry WebBook
β-Phenylethanol NIST Chemistry WebBook
β-Phenylethyl alcohol NIST Chemistry WebBook
Phenethyl alcohol KEGG COMPOUND
Phenylethyl alcohol KEGG COMPOUND
Database Links Databases
C00002663 KNApSAcK
C05853 KEGG COMPOUND
CPD-7035 MetaCyc
D00192 KEGG DRUG
DB02192 DrugBank
HMDB33944 HMDB
PEL PDBeChem
Phenethyl_alcohol Wikipedia
View more database links
Registry Numbers Types Sources
1905732 Beilstein Registry Number Beilstein
1905732 Reaxys Registry Number Reaxys
240469 Gmelin Registry Number Gmelin
60-12-8 CAS Registry Number KEGG COMPOUND
60-12-8 CAS Registry Number NIST Chemistry WebBook
60-12-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19517523 PubMed citation Europe PMC
22690913 PubMed citation Europe PMC
23385159 PubMed citation Europe PMC
23836015 PubMed citation Europe PMC
24423498 PubMed citation Europe PMC
Last Modified
17 February 2016