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Cis-Linalool oxide

CAT: 0804-HY-W588272Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W588272Size:1 mg
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Description
Cis-Linalool oxide is a monoterpenoid compound with an aromatic odor, and is often used as a flavoring agent. It is commonly found in certain species of aromatic plants.
CAS Number
5989-33-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Others
Smiles
C=C[C@]1(O[C@H](CC1)C(C)(O)C)C
Molecular Formula
C10H18O2
Molecular Weight
170.25
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Souto-Maior FN, de Carvalho FL, de Morais LC, Netto SM, de Sousa DP, de Almeida RN. Anxiolytic-like effects of inhaled linalool oxide in experimental mouse anxiety models. Pharmacol Biochem Behav. 2011 Dec;100 (2) :259-63.|[2]Ni H, Jiang Q, Lin Q, et al. Enzymatic hydrolysis and auto-isomerization during β-glucosidase treatment improve the aroma of instant white tea infusion. Food Chem. 2021;342:128565.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Linalool oxide, cis-

(2R,5S)-linalyl oxide is a monoterpenoid that is 2-(2-hydroxypropan-2-yl)oxolane carying additional methyl and vinyl substituents both located at position 5 (the 2R,5S-diastereomer). It is a monoterpenoid, a tertiary alcohol, a member of oxolanes and an olefinic compound.

CAS Number5989-33-3
PubChem CID6428573
IUPAC Name2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP1.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity186
SMILES
C[C@]1(CC[C@@H](O1)C(C)(C)O)C=C
InChI
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
InChIKey
BRHDDEIRQPDPMG-PSASIEDQSA-N
Chemical Structure
2D Structure
2D structure of Linalool oxide, cis-
CAS: 5989-33-3
CID: 6428573
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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