Linaloyl oxide

Common Name

Linaloyl oxide Description

Linaloyl oxide is found in alcoholic beverages. Linaloyl oxide is a flavouring and fragrence ingredient. Linaloyl oxide is present in roselle tea, muscat grapes, lime oil, alfalfa, Riesling wine, grapefruit, yellow passion fruit, apricot, blackberry, blueberry, nectarine, cherimoya, papaya and curuba fruits. Structure


Structure for HMDB37133 (Linaloyl oxide)


Value Source 2,2,6-Trimethyl-6-vinyl-tetrahydropyranHMDB 2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyranHMDB 2,2,6-Trimethyl-6-vinyltetrahydropyranHMDB 2,6,6-Trimethyl-2-ethenyltetrahydro-2-pyranHMDB 2,6,6-Trimethyl-2-ethenyltetrahydro-2H-pyranHMDB 2,6,6-Trimethyl-2-ethenyltetrahydropyranHMDB 2,6,6-Trimethyl-2-vinyl-tetrahydropyraneHMDB 2,6,6-Trimethyl-2-vinyltetrahydropyranHMDB 2-ethenyltetrahydro-2,6,6-Trimethyl-2H-pyranHMDB 2-ethenyltetrahydro-2,6,6-Trimethylpyran, 9ciHMDB 2-vinyltetrahydro-2,6,6-Trimethyl-2H-pyranHMDB Dehydroxylinalool oxide aHMDB FEMA 3735HMDB tetrahydro-2,2,6-Trimethyl-6-vinyl-2H-pyranHMDB

Chemical Formlia

C10H18O Average Molecliar Weight

154.2493 Monoisotopic Molecliar Weight

154.135765198 IUPAC Name

2-ethenyl-2,6,6-trimethyloxane Traditional Name

2-ethenyl-2,6,6-trimethyloxane CAS Registry Number

7392-19-0 SMILES


InChI Identifier


InChI Key

NETOHYFTCONTDT-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Kingdom

Chemical entities Super Class

Organic compounds Class

Organoheterocyclic compounds Sub Class

Oxanes Direct Parent

Oxanes Alternative Parents

  • Oxacyclic compounds
  • Dialkyl ethers
  • Hydrocarbon derivatives
  • Substituents

  • Oxane
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
  • Molecliar Framework

    Aliphatic heteromonocyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
  • Nutrient
  • Application

  • Flavoring Agent
  • Nutrient
  • Stabilizers
  • Surfactants and Emlisifiers
  • Cellliar locations

  • Extracellliar
  • Membrane
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.02 mg/mLALOGPS logP3.35ALOGPS logP2.74ChemAxon logS-3.9ALOGPS pKa (Strongest Basic)-4.2ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count1ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area9.23 Å2ChemAxon Rotatable Bond Count1ChemAxon Refractivity47.68 m3·mol-1ChemAxon Polarizability18.59 Å3ChemAxon Number of Rings1ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Extracellliar
  • Membrane
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB016128 KNApSAcK ID

    Not Available Chemspider ID

    455792 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB37133 Metagene Link


    Not Available PubChem Compound

    522514 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Givinostat

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 20809131