Dicyclohexylmethanol - ≥98% , CAS No.4453-82-1

CAS: 4453-82-1 Cat. No.: D170400 Summenformel: C₁₃H₂₄O Molekulargewicht: 196.33 Beilstein Registry Number: 1926670

GRADE & PURITY ≥98%

Synonyms

Cyclohexanemethanol, .alpha.-cyclohexyl- | EN300-264331 | NSC 60010 | SY211081 | D94738 | NSC60010 | NSC-60010 | AMY38500 | Cyclohexanemethanol, alpha-cyclohexyl- | FT-0742822 | AI3-05548 | Dicyclohexylcarbinol | LH2MTW54VJ | MFCD00001474 | Z513751398 | S

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Cyclohexanemethanol, .alpha.-cyclohexyl- | EN300-264331 | NSC 60010 | SY211081 | D94738 | NSC60010 | NSC-60010 | AMY38500 | Cyclohexanemethanol, alpha-cyclohexyl- | FT-0742822 | AI3-05548 | Dicyclohexylcarbinol | LH2MTW54VJ | MFCD00001474 | Z513751398 | S

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488185533
• Kanonisches Lächeln: C1CCC(CC1)C(C2CCCCC2)O
• IUPAC Name: dicyclohexylmethanol
• InChIKey: DEFUSPNGFCCTEU-UHFFFAOYSA-N
• INCHI: 1S/C13H24O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14H,1-10H2
• Isomere SMILES: C1CCC(CC1)C(C2CCCCC2)O
• WGK Deutschland: 3
• Molekulargewicht: 196.33
• Beilstein: 1926670
• Reaxy-Rn: 1926669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1926669&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 154 °C
• Schmelzpunkt (°C): 58-64°C
• Molekulargewicht: 196.330 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.183 Da
• Monoisotopic Mass: 196.183 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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