CHEBI:77519 - 3-pentanol

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ChEBI Name 3-pentanol
ChEBI ID CHEBI:77519
Definition A secondary alcohol that is pentane substituted at position 3 by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jen Hammock
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Formula C5H12O
Net Charge 0
Average Mass 88.14820
Monoisotopic Mass 88.089
InChI InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
InChIKey AQIXEPGDORPWBJ-UHFFFAOYSA-N
SMILES CCC(O)CC
Roles Classification
Biological Role(s): pheromone
A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
Application(s): biomarker
A substance used as an indicator of a biological state.
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ChEBI Ontology
Outgoing 3-pentanol (CHEBI:77519) has parent hydride pentane (CHEBI:37830)
3-pentanol (CHEBI:77519) has role biomarker (CHEBI:59163)
3-pentanol (CHEBI:77519) has role pheromone (CHEBI:26013)
3-pentanol (CHEBI:77519) is a secondary alcohol (CHEBI:35681)
IUPAC Name
pentan-3-ol
Synonyms Sources
(C2H5)2CHOH NIST Chemistry WebBook
1-Ethyl-1-propanol NIST Chemistry WebBook
3-Pentyl alcohol ChemIDplus
Diethyl carbinol ChemIDplus
Pentanol-3 NIST Chemistry WebBook
sec-Amyl alcohol ChemIDplus
sec-Pentanol ChemIDplus
sec-Pentyl alcohol ChemIDplus
Manual Xref Database
3-Pentanol Wikipedia
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Registry Numbers Types Sources
1730964 Reaxys Registry Number Reaxys
1730964 Beilstein Registry Number ChemIDplus
584-02-1 CAS Registry Number NIST Chemistry WebBook
584-02-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21280746 PubMed citation Europe PMC
21619052 PubMed citation Europe PMC
21766958 PubMed citation Europe PMC
23590828 PubMed citation Europe PMC
23698768 PubMed citation Europe PMC
Last Modified
12 March 2014