(-)-Menthyl Succinate - ≥98% , CAS No.77341-67-4

CAS: 77341-67-4 Cat. No.: M158015 Fórmula: C₁₄H₂₄O₄ Peso molecular: 256.34 Número EC: 426-890-4

GRADE & PURITY ≥98%

Synonyms

Succinic Acid (-)-Menthyl Ester | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Succinate | Succinic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Succinic Acid (-)-Menthyl Ester | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Succinate | Succinic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC(C(C1)OC(=O)CCC(=O)O)C(C)C
• IUPAC Name: 4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxobutanoic acid
• InChIKey: BLILOGGUTRWFNI-GRYCIOLGSA-N
• INCHI: 1S/C14H24O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h9-12H,4-8H2,1-3H3,(H,15,16)/t10-,11+,12-/m1/s1
• Isómeros SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC(=O)O)C(C)C
• Peso molecular: 256.34
• Reaxy-Rn: 1880410
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1880410&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light sensitive
• Rotación específica [α]: -65° (C=5,CHCl3)
• Punto de fusión (°C): 64 °C
• Peso molecular: 256.339 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 256.167 Da
• Monoisotopic Mass: 256.167 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1