L-Menthyl lactate CAS#: 61597-98-6; ChemWhat Code: 74959

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameL-Menthyl lactate
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxypropanoate
Molecular StructureStructure of L-Menthyl lactate CAS 61597-98-6
CAS Registry Number 61597-98-6
EINECS NumberNo data available
MDL NumberMFCD27977194
Beilstein Registry Number4783040
Synonyms(1R,2S,5R)-menthyl (S)-(-)-lactate(1R,2S,5R)-menthyl (S)-H-lactate(S)(-) menthyl lactateL-menthyl L-lactatementhyl (S)-(-)-lactatementhyl monolactateL-menthyl lactate
Molecular FormulaC13H24O3
Molecular Weight228.328
InChIInChI=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 KeyUJNOLBSYLSYIBM-NOOOWODRSA-N
Canonical SMILESC[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C)O)C(C)C
Patent Information
Patent IDTitlePublication Date
US2008/175800USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES2008

Physical Data

AppearanceWhite needle-like crystals
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C Solvent (Melting Point)
65
Type (Optical Rotatory Power)Concentration (Optical Rotatory Power)Solvent (Optical Rotatory Power)Optical Rotatory Power, degWavelength (Optical Rotatory Power), nmTemperature (Optical Rotatory Power), °C
[alpha]10.08 g/100mlacetone-85.857820

Spectra

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Spectrumdichloromethane233

Route of Synthesis (ROS)

Route of Synthesis (ROS) of L-Menthyl lactate CAS 61597-98-6
Route of Synthesis (ROS) of L-Menthyl lactate CAS 61597-98-6
ConditionsYield
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 StatementsH412 (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 CodesP273, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight228.332
logP3.44
HBA3
HBD1
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)46.53
Rotatable Bond (RotB)4
Matching Veber Rules2
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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