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(-) -Lavandulyl acetate

CAT: 0804-HY-117419Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117419Size:1 Each
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Description
(-) -Lavandulyl acetate is a nature product that can be found in Lavandula angustifolia. (-) -Lavandulyl acetate shows toxicity for mosquito vectors. (-) -Lavandulyl acetate can be used as mosquito larvicide[1][2].
CAS Number
20777-39-3
UNSPSC
12352211
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/minus-lavandulyl-acetate.html
Solubility
10 mM in DMSO
Smiles
CC(OC[C@H](C/C=C(C)\C)C(C)=C)=O
Molecular Formula
C12H20O2
Molecular Weight
196.29
References & Citations
[1]Krzysztof Smigielski, et al. Chemical Composition of the Essential Oil of Lavandula angustifolia Cultivated in Poland. Journal of Essential Oil Bearing Plants. 2013, 12, 338-347.|[2]Krzysztof Smigielski, et al. Chemical Composition of the Essential Oil of Lavandula angustifolia Cultivated in Poland. Journal of Essential Oil Bearing Plants. 2013, 12, 338-347.|[3]Govindarajan M, et al. Eco-friendly larvicides from Indian plants: Effectiveness of lavandulyl acetate and bicyclogermacrene on malaria, dengue and Japanese encephalitis mosquito vectors. Ecotoxicol Environ Saf. 2016 Nov;133:395-402.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (2R)-

5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate has been reported in Artemisia annua, Murraya paniculata, and Lavandula angustifolia with data available.

CAS Number20777-39-3
PubChem CID14268092
IUPAC Name[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity235
SMILES
CC(=CC[C@@H](COC(=O)C)C(=C)C)C
InChI
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3/t12-/m0/s1
InChIKey
HYNGAVZPWWXQIU-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (2R)-
CAS: 20777-39-3
CID: 14268092
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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