(-)-Menthyl Chloride - ≥98% , CAS No.16052-42-9

CAS: 16052-42-9 Cat. No.: M157917 Peso molecular: 174.71 Beilstein Registry Number: 1902300 PubChem CID: 244509

GRADE & PURITY ≥98%

Synonyms

AS-71351 | (-)-3-Chloro-p-menthane | Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, (1S,2R,4R)- | J-009730 | AKOS016344245 | Cyclohexane, [1S-(1.alpha.,2.beta.,4.beta.)]- | (1R,2S,5R)-(-)-Menthyl chloride | M0834 | (1S,2R,4R)-2-chloro-4-methyl-1-(prop

Shipped In

Normal

Specifications

Sinónimos

AS-71351 | (-)-3-Chloro-p-menthane | Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, (1S, 2R, 4R)- | J-009730 | AKOS016344245 | Cyclohexane, [1S-(1.alpha., 2.beta., 4.beta.)]- | (1R, 2S, 5R)-(-)-Menthyl chloride | M0834 | (1S, 2R, 4R)-2-chloro-4-methyl-1-(prop

Especificaciones y pureza

≥98%

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188964
• Sonrisas canónicas: CC1CCC(C(C1)Cl)C(C)C
• IUPAC Name: (1S,2R,4R)-2-chloro-4-methyl-1-propan-2-ylcyclohexane
• InChIKey: OMLOJNNKKPNVKN-KXUCPTDWSA-N
• INCHI: 1S/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
• Isómeros SMILES: C[C@@H]1CC[C@H]([C@@H](C1)Cl)C(C)C
• WGK Alemania: 3
• PubChem CID: 244509
• Peso molecular: 174.71
• Beilstein: 1902300
• Reaxy-Rn: 1902297

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 Cyclohexyl halides Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexyl halide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

• Índice de refracción: [α]20/D −52.4°, neat
• Rotación específica [α]: 1.4634
• Punto de inflamación (°F): 172.4 °F
• Punto de inflamación (°C): 78°C(lit.)
• Punto de ebullición (°C): 101°C/25mmHg(lit.)
• Punto de fusión (°C): −20-−16.5 °C
• Peso molecular: 174.710 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.118 Da
• Monoisotopic Mass: 174.118 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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