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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:80945 - octan-3-ol
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ChEBI Ontology
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ChEBI Name
octan-3-ol
ChEBI ID
CHEBI:80945
Definition
A secondary alcohol that is octane substituted by a hydroxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C8H18O
Net Charge
0
Average Mass
130.231
Monoisotopic Mass
130.13577
InChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChIKey
NMRPBPVERJPACX-UHFFFAOYSA-N
SMILES
CCC(CCCCC)O
Metabolite of Species
Details
Starmerella bacillaris
(NCBI:txid1247836)
See:
MetaboLights Study
Vitis vinifera
(NCBI:txid29760)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
pheromone
A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
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
octan-3-ol (
CHEBI:80945
)
has role
flavouring agent (
CHEBI:35617
)
octan-3-ol (
CHEBI:80945
)
has role
human metabolite (
CHEBI:77746
)
octan-3-ol (
CHEBI:80945
)
has role
pheromone (
CHEBI:26013
)
octan-3-ol (
CHEBI:80945
)
has role
plant metabolite (
CHEBI:76924
)
octan-3-ol (
CHEBI:80945
)
is a
octanol (
CHEBI:37868
)
octan-3-ol (
CHEBI:80945
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
octan-3-ol
Synonyms
Sources
1-ethylhexanol
ChemIDplus
3-octanol
ChemIDplus
amyl ethyl carbinol
ChemIDplus
ethyl amyl carbinol
ChemIDplus
ethylhexyl alcohol
ChEBI
FEMA 3581
ChEBI
Manual Xrefs
Databases
C00035495
KNApSAcK
C17144
KEGG COMPOUND
HMDB0030070
HMDB
LMFA05000568
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1719307
Reaxys Registry Number
Reaxys
589-98-0
CAS Registry Number
NIST Chemistry WebBook
589-98-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12659717
PubMed citation
Europe PMC
17314143
PubMed citation
Europe PMC
25524148
PubMed citation
Europe PMC
33220393
PubMed citation
Europe PMC
34908157
PubMed citation
Europe PMC
36132489
PubMed citation
Europe PMC
36364131
PubMed citation
Europe PMC
37444178
PubMed citation
Europe PMC
37446889
PubMed citation
Europe PMC
IND608130822
Agricola citation
Europe PMC
IND86084078
Agricola citation
Europe PMC
Last Modified
25 October 2023