cis-Decahydro-1-naphthol - ≥99% , CAS No.207127-50-2

CAS: 207127-50-2 Cat. No.: C474262 Peso molecular: 154.253

GRADE & PURITY ≥99%

Synonyms

A823151 | AKOS015855481 | cis-Decahydronaphthalen-1-ol | SCHEMBL838630 | cis-Decahydro-1-naphthol | (1S,4AS)-DECAHYDRONAPHTHALEN-1-OL | (1S,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol | I11533 | DTXSID40957569 | AKOS016028423 | (1S,4aS)-decalin-1-

Storage

Room temperature

Descripción general

Description

cis-Decahydro-1-naphthol (DHN) was used in the solid-phase microextraction (SPME) and membrane-assisted solvent extraction (MASE) method for the detection of 2-methylisoborneol and geosmin in aqueous samples.

Specifications

Sinónimos

A823151 | AKOS015855481 | cis-Decahydronaphthalen-1-ol | SCHEMBL838630 | cis-Decahydro-1-naphthol | (1S, 4AS)-DECAHYDRONAPHTHALEN-1-OL | (1S, 4aS)-1, 2, 3, 4, 4a, 5, 6, 7, 8, 8a-decahydronaphthalen-1-ol | I11533 | DTXSID40957569 | AKOS016028423 | (1S, 4aS)-decalin-1-

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CCC2C(C1)CCCC2O
• IUPAC Name: (1S,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
• InChIKey: NDZOISQLWLWLEW-SMILAEQMSA-N
• INCHI: 1S/C10H18O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-11H,1-7H2/t8-,9?,10-/m0/s1
• Isómeros SMILES: C1CCC2[C@@H](C1)CCC[C@@H]2O
• Peso molecular: 154.253
• Reaxy-Rn: 2038141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038141&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cyclic alcohol - Secondary alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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

• Peso molecular: 154.250 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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