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(1R) - (-) -Menthyl acetate

CAT: 0926-FM139285Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FM139285Size:25 g
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CAS Number
2623-23-6
Synonyms
L- (-) -Menthyl acetate; (-) -Menthyl acetate
MDL Number
MFCD00001482
Smiles
C[C@@H]1CC[C@H] ([C@@H] (C1) OC (=O) C) C (C) C
Molecular Formula
C12H22O2
Molecular Weight
198.3 g/mol
Controlled
No

Chemical Information

L-Menthyl acetate

(-)-Menthyl acetate is a p-menthane monoterpenoid.

CAS Number2623-23-6
PubChem CID220674
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C
InChI
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
InChIKey
XHXUANMFYXWVNG-ADEWGFFLSA-N
Chemical Structure
2D Structure
2D structure of L-Menthyl acetate
CAS: 2623-23-6
CID: 220674
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-237830(1R) - (-) -Menthyl acetate
MBS3611339-01(1R)-(-)-Menthyl acetate
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