L-Menthyl lactate - Moligand™, ≥97% , Activator of TRPM8, CAS No.185915-25-7, Activator of TRPM8

CAS: 185915-25-7 Cat. No.: S168132 Molecular Weight: 228.33 PubChem CID: 62151

GRADE & PURITY Moligand™, ≥97%

Synonyms

(-)-menthyl lactate|MENTHYL LACTATE|59259-38-0|l-Menthyl lactate|frescolat ML|[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate|(R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate|185915-25-7|(1R,2S,5R)-2-ISOPROPYL-5-METHYLCY

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(-)-menthyl lactate | MENTHYL LACTATE | 59259-38-0 | l-Menthyl lactate | frescolat ML | [(1R, 2S, 5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate | (R)-(1R, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate | 185915-25-7 | (1R, 2S, 5R)-2-ISOPROPYL-5-METHYLCY

Specifications & Purity

Moligand™, ≥97%

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPM8

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183556
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183556
• Canonical Smiles: CC1CCC(C(C1)OC(=O)C(C)O)C(C)C
• IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate
• InChIKey: UJNOLBSYLSYIBM-SGUBAKSOSA-N
• 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
• Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)O)C(C)C
• Alternate CAS: 59259-38-0；17162-29-7；61597-98-6
• PubChem CID: 62151
• Molecular Weight: 228.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (2 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Specific Rotation[α]: [α]20/D -81°, c = 5 in ethanol
• Flash Point(°F): >113 °C
• Flash Point(°C): >113°C
• Boil Point(°C): 142 °C/5 mmHg
• Melt Point(°C): 42-47 °C
• Molecular Weight: 228.330 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.173 Da
• Monoisotopic Mass: 228.173 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1