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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:147331 - 2-propylphenol
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ChEBI Ontology
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ChEBI Name
2-propylphenol
ChEBI ID
CHEBI:147331
Definition
A member of the class of phenols that is phenol which is substituted by a propyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
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Molfile
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Molfile
Formula
C9H12O
Net Charge
0
Average Mass
136.194
Monoisotopic Mass
136.08882
InChI
InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKey
LCHYEKKJCUJAKN-UHFFFAOYSA-N
SMILES
C=1(C=CC=CC1O)CCC
Metabolite of Species
Details
Wollemia nobilis
(NCBI:txid56998)
Found in leaf
(BTO:0000713)
. See:
DOI
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
1-(2-hydroxyphenyl)propane
ChemIDplus
1-hydroxy-2-n-propylbenzene
ChemIDplus
1-hydroxy-2-propylbenzene
SUBMITTER
2-n-propylphenol
ChemIDplus
2-propylphenol
UniProt
o
-propylphenol
ChemIDplus
Manual Xrefs
Databases
CPD-14147
MetaCyc
FDB010568
FooDB
HMDB0032624
HMDB
JZ4
PDBeChem
View more database links
Registry Numbers
Types
Sources
1363932
Reaxys Registry Number
Reaxys
644-35-9
CAS Registry Number
NIST Chemistry WebBook
644-35-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19705287
PubMed citation
Europe PMC
19782087
PubMed citation
Europe PMC
23630291
PubMed citation
Europe PMC
8481010
PubMed citation
SUBMITTER
IND44277107
Agricola citation
Europe PMC
Last Modified
19 May 2020