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(-) -Dihydrocarvyl acetate

CAT: 0013-GTR19179472Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179472Size:20 mg
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Description
(-) -Dihydrocarvyl acetate (CAS 20777-49-5) is a natural monoterpenoid ester used in life science research. It serves as a chiral building block and a flavor/aroma standard in analytical chemistry, with applications in both in vitro biochemical studies and in vivo research on plant-insect interactions.
CAS Number
20777-49-5
Smiles
C[C@@H]1CC[C@H] (C[C@H]1OC (C) =O) C (C) =C
Molecular Formula
C12H20O2
Molecular Weight
196.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dihydrocarvyl acetate

Dihydrocarveol acetate is a p-menthane monoterpenoid.

CAS Number20777-49-5
PubChem CID30248
IUPAC Name(2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity232
SMILES
CC1CCC(CC1OC(=O)C)C(=C)C
InChI
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
InChIKey
TUSIZTVSUSBSQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrocarvyl acetate
CAS: 20777-49-5
CID: 30248
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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