L-Menthyl lactate CAS#: 61597-98-6; 凯望编码 (ChemWhat Code): 74959
Identification
| 英文名 | L-Menthyl lactate |
| IUPAC Name | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxypropanoate |
| 分子结构 |  |
| CAS编号 | 61597-98-6 |
| EINECS Number | No data available |
| MDL Number | MFCD27977194 |
| Beilstein Registry Number | 4783040 |
| 别名 | (1R,2S,5R)-menthyl (S)-(-)-lactate(1R,2S,5R)-menthyl (S)-H-lactate(S)(-) menthyl lactateL-menthyl L-lactatementhyl (S)-(-)-lactatementhyl monolactateL-menthyl lactate |
| 分子式 | C13H24O3 |
| 分子量 | 228.328 |
| InChI | InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10+,11+,12-/m1/s1 |
| InChI Key | UJNOLBSYLSYIBM-NOOOWODRSA-N |
| Canonical SMILES | C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C)O)C(C)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2008/175800 | USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES | 2008 |
Physical Data
| Appearance | White needle-like crystals |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 65 |
| Type (Optical Rotatory Power) | Concentration (Optical Rotatory Power) | Solvent (Optical Rotatory Power) | Optical Rotatory Power, deg | Wavelength (Optical Rotatory Power), nm | Temperature (Optical Rotatory Power), °C |
| [alpha] | 10.08 g/100ml | acetone | -85.8 | 578 | 20 |
Spectra
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | dichloromethane | 233 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sulfuric acid In n-heptane at 120℃; for 7h; Reagent/catalyst; Temperature; Time; Concentration; | A 22.95% B 7.4% C 43.39% |
Safety and Hazards
| GHS Hazard Statements | H412 (93.07%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P273, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 228.332 |
| logP | 3.44 |
| HBA | 3 |
| HBD | 1 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 46.53 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| L-Menthyl lactate CAS#: 61597-98-6 is used in medicine, food, tobacco, daily chemical products and other fields |
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认证生产商 | |
| Ulcho Biochemical Ltd | http://www.ulcho.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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