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L-Menthyl Acetate

CAT: 0572-TRC-M219150-5MLSize: 5 mLDry Ice: NoHazardous: No
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CAT#:0572-TRC-M219150-5MLSize:5 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2623-23-6
Synonyms
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol 1-Acetate; [1R-(1α,2β,5α)]-5-Methyl-2-(1-methylethyl)cyclohexanol Acetate; (1R,3R,4S)-(-)-Menthol Acetate; (-)-Menthol Acetate; (-)-Menthyl Acetate; (-)-p-Menthyl Acetate; (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol Acetate; Acetic Acid (R)-Menthyl Ester; NSC 3722; NSC 52970; l-(-)-Menthyl Acetate; l-Menthol Acetate
Hazard Statement
Toxic to aquatic life with long lasting effects; UN number: UN3082; Packing Group: III
Smiles
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C
Molecular Formula
C12 H22 O2
Molecular Weight
198.3
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
Additionnal Information
IUPAC name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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