(-)-8-Phenylmenthol - ≥98%(GC) , CAS No.65253-04-5

CAS: 65253-04-5 Cat. No.: P160093 Molecular Weight: 232.37 Beilstein Registry Number: 3651170 EC Number: 627-158-9 PubChem CID: 2725001

GRADE & PURITY ≥98%(GC)

Synonyms

D92203 | DTXSID00369326 | (1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexanol | Cyclohexanol,5-methyl-2-(1-methyl-1-phenylethyl)-,(1R,2S,5R)- | J-519472 | J-800480 | (1R,2S,5R)-5-Methyl-2-(2-phenylpropan-2-yl)cyclohexanol | (-)-Phenmenthol | J-6403

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D92203 | DTXSID00369326 | (1R, 2S, 5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexanol | Cyclohexanol, 5-methyl-2-(1-methyl-1-phenylethyl)-, (1R, 2S, 5R)- | J-519472 | J-800480 | (1R, 2S, 5R)-5-Methyl-2-(2-phenylpropan-2-yl)cyclohexanol | (-)-Phenmenthol | J-6403

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC1CCC(C(C1)O)C(C)(C)C2=CC=CC=C2
• IUPAC Name: (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
• InChIKey: WTQIZFCJMGWUGZ-BPLDGKMQSA-N
• INCHI: 1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m1/s1
• Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)C2=CC=CC=C2
• WGK Germany: 3
• PubChem CID: 2725001
• Molecular Weight: 232.37
• Beilstein: 3651170

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: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Menthane monoterpenoids Phenylpropanes Cyclohexanols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - Phenylpropane - Cyclohexanol - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

Chemical and Physical Properties

• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 85°C/0.05mmHg(lit.)
• Molecular Weight: 232.360 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.183 Da
• Monoisotopic Mass: 232.183 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 240.000
• 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