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

CAS: 7731-29-5 Cat. No.: T162592 Formule: C₇H₁₄O Poids moléculaire: 114.19 Beilstein Registry Number: 6(3)73 Numéro 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

508812787

Sourires canoniques

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

Isomères SMILES

CC1CCC(CC1)O

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Indice de réfraction: 1.46
• Point d'éclair (°F): 158 °F
• Point d'éclair (°C): 70°C(lit.)
• Point d'ébullition (°C): 171°C
• Poids moléculaire: 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