CHEBI:132752 - 3-hydroxy-3-methylbut-1-ene

ChEBI IDCHEBI:132752
ChEBI Name3-hydroxy-3-methylbut-1-ene
Stars
DefinitionA tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3.
Last Modified16 January 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC5H10O
Net Charge0
Average Mass86.134
Monoisotopic Mass86.07316
SMILESC=CC(C)(C)O
InChIInChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChIKeyHNVRRHSXBLFLIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ips nitidus (ncbitaxon:432259) - PubMed (19408044)
Pinus ponderosa (ncbitaxon:55062) - PubMed (12371811)
Roles Classification
Biological Roles:
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) has parent hydride 3-methylbut-1-ene (CHEBI:77914)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) has role animal metabolite (CHEBI:75767)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) has role fragrance (CHEBI:48318)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) has role pheromone (CHEBI:26013)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) has role plant metabolite (CHEBI:76924)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) is a olefinic compound (CHEBI:78840)
3-hydroxy-3-methylbut-1-ene (CHEBI:132752) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-methylbut-3-en-2-ol
Synonyms  Source
3-Hydroxy-3-methylbuteneChemIDplus
VinyldimethylcarbinolChemIDplus
alpha,alpha-Dimethylallyl alcoholChemIDplus
1,1-Dimethyl-2-propenolChemIDplus
MethylbutenolChemIDplus
1,1-Dimethylallyl alcoholChemIDplus
UniProt Name  Source
3-hydroxy-3-methylbut-1-eneUniProt
Manual XrefsDatabases
HMDB0033854HMDB
Registry NumbersSources
Reaxys:1698263Reaxys
CAS:115-18-4ChemIDplus
CAS:115-18-4NIST Chemistry WebBook
Citations