trans-4-Methylcyclohexanol - ≥98%(GC) , CAS No.7731-29-5

CAS: 7731-29-5 Cat. No.: T162592 Fórmula: C₇H₁₄O Peso molecular: 114.19 Beilstein Registry Number: 6(3)73 Número CE: 231-790-7

GRADE & PURITY ≥98%(GC)

Synonyms

4-METHYLCYCLOHEXANOL | ethyl2,6-dichloro-5-fluoropyridine-3-carboxylate | SB84127 | SY043391 | ZLJ21O6WVR | UNII-1UK9W4X7H9 | 4-Methylcyclohexanol,mixture of cis and trans | AM9714 | p-Methylcyclohexanol | UNII-ZLJ21O6WVR | AI3-01169 | FT-0636584 | 4-Meth

Storage

Room temperature

Shipped In

Normal

Visão geral

trans-4-Methylcyclohexanol is an active Aedes triseriatus oviposition attractant.

Specifications

Sinónimos

4-METHYLCYCLOHEXANOL | ethyl2,6-dichloro-5-fluoropyridine-3-carboxylate | SB84127 | SY043391 | ZLJ21O6WVR | UNII-1UK9W4X7H9 | 4-Methylcyclohexanol,mixture of cis and trans | AM9714 | p-Methylcyclohexanol | UNII-ZLJ21O6WVR | AI3-01169 | FT-0636584 | 4-Meth

Especificações e pureza

≥98%(GC)

Mecanismos bioquímicos e fisiológicos

trans-4-Methylcyclohexanol is the major metabolite formed by biological regioselective reduction of 4-methylcyclohexanone by Glomerella cingulata.

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

508812787

Sorrisos canónicos

CC1CCC(CC1)O

IUPAC Name

4-methylcyclohexan-1-ol

InChIKey

MQWCXKGKQLNYQG-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3

SMILES isoméricas

CC1CCC(CC1)O

WGK Alemanha

3

Peso molecular

114.19

Beilstein

6(3)73

Reaxy-Rn

1445998

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1445998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Índice de refração: 1.46
• Ponto de inflamação (°F): 158 °F
• Ponto de inflamação (°C): 70°C(lit.)
• Ponto de ebulição (°C): 171°C
• Peso molecular: 114.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.800
• 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