Menthyl acetate
PubChem CID: 27867
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| Compound Synonyms | Menthyl acetate, 16409-45-3, 89-48-5, Menthol, acetate, Menthyl acetate racemic, 29066-34-0, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, 2623-23-6, 2230-87-7, (5-methyl-2-propan-2-ylcyclohexyl) acetate, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-, 2-Isopropyl-5-methylcyclohexyl acetate, (1R)-(-)-Menthyl acetate, d-Neomenthyl acetate, 5-Methyl-2-(1-methylethyl)cyclohexanol acetate, Neomenthol acetate, FEMA Number 2668, L-Menthyl acetate, (-)-Menthyl acetate, HSDB 824, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-, (.+/-.)-Menthol acetate, 20777-36-0, EINECS 240-459-6, (1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexyl acetate, Acetic acid, p-menth-3-yl ester, dl-, enthyl acetate, AI3-36197, MFCD00062977, Menthol, neo-, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1.ALPHA.,2.BETA.,5.ALPHA.)-, Menthyl Acetate, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate (ACI), Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate (9CI), Menthol, acetate (6CI, 8CI), 2-Isopropyl-5-methylcyclohexyl acetate, Acetic acid 5-methyl-2-(1-methylethyl)cyclohexyl es, EINECS 218-767-7, (5R)-2-Isopropyl-5-methylcyclohexyl acetate, starbld0011430, Menthyl acetate, 97%, (2-isopropyl-5-methyl-cyclohexyl) acetate, acetic acid menthyl ester, SCHEMBL57396, CHEMBL254585, 2-Isopropyl-5-methylcyclohexyl acetate, (1.alpha.,2.beta.,5.alpha.)-, DTXSID20859153, NSC7350, Acetic acid, p-menth-3-yl ester, CHEBI:191550, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1alpha,2alpha,5beta)-, NSC-7350, RAA40945, DL-Menthyl acetate, >=97%, FG, L-enthyl acetate, (-)-enthyl acetate, NSC122112, AKOS015837885, NSC 122112, NSC-122112, SB44841, SB46743, AS-83629, SY234960, DB-063670, DB-071375, NS00077576, 2-Isopropyl-5-methylcyclohexyl (1S,2R,5S)-Acetate, [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate, Cyclohexanol, acetate, (1.alpha.,2.alpha.,5.beta.)-, Menthyl acetate, primary pharmaceutical reference standard, Cyclohexanol, acetate, [1S-(1.alpha.,2.alpha.,5.beta.)]-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-, InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Description | Flavouring compound [Superscent] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-methyl-2-propan-2-ylcyclohexyl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XHXUANMFYXWVNG-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -3.805 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.547 |
| Compound Name | Menthyl acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3914972 |
| 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 |
| Smiles | CC1CCC(C(C1)OC(=O)C)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Descurainia Sophia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all