CHEBI:77517 - 3-methyl-2-butanol

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ChEBI Name 3-methyl-2-butanol
ChEBI ID CHEBI:77517
Definition A secondary alcohol that is 2-butanol carrying an additional methyl substituent at position 3.
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/c1-4(2)5(3)6/h4-6H,1-3H3
InChIKey MXLMTQWGSQIYOW-UHFFFAOYSA-N
SMILES CC(C)C(C)O
Roles Classification
Chemical Role(s): polar solvent
A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
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.
Application(s): polar solvent
A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
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ChEBI Ontology
Outgoing 3-methyl-2-butanol (CHEBI:77517) has parent hydride isopentane (CHEBI:30362)
3-methyl-2-butanol (CHEBI:77517) has role plant metabolite (CHEBI:76924)
3-methyl-2-butanol (CHEBI:77517) has role polar solvent (CHEBI:48354)
3-methyl-2-butanol (CHEBI:77517) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3-methylbutan-2-ol
Synonyms Sources
(+/-)-3-Methyl-2-butanol NIST Chemistry WebBook
(CH3)2CHCH(OH)CH3 NIST Chemistry WebBook
1,2-Dimethyl-1-propanol NIST Chemistry WebBook
1,2-Dimethylpropanol ChemIDplus
2-Methyl-3-butanol ChemIDplus
DL-3-Methyl-2-butanol HMDB
Isopropylmethylcarbinol ChemIDplus
Methylisopropylcarbinol ChemIDplus
sec-Isoamyl alcohol ChemIDplus
Manual Xrefs Databases
3-Methyl-2-butanol Wikipedia
HMDB0033777 HMDB
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Registry Numbers Types Sources
1718800 Reaxys Registry Number Reaxys
598-75-4 CAS Registry Number NIST Chemistry WebBook
598-75-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16833644 PubMed citation Europe PMC
22752178 PubMed citation Europe PMC
Last Modified
14 April 2014