trans-4-(Hydroxymethyl)cyclohexanol - ≥98%(GC) , CAS No.3685-27-6

CAS: 3685-27-6 Cat. No.: T162663 Formule: C₇H₁₄O₂ Poids moléculaire: 130.19 Beilstein Registry Number: 6(4)5221 Numéro CE: 890-525-9

GRADE & PURITY ≥98%(GC)

Synonyms

PAROXETINE MALEATE [MI] | CIS-4-(HYDROXYMETHYL)CYCLOHEXAN-1-OL | EN300-7076406 | EN300-198663 | Z1255451065 | 2-Propenyl 2,4-hexadienoate, (E,E)- | 4-(Hydroxymethyl)cyclohexanol | AKOS024436796 | cis-4-Hydroxycyclohexanemethanol | MFCD09866843 | SCHEMBL45

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

PAROXETINE MALEATE [MI] | CIS-4-(HYDROXYMETHYL)CYCLOHEXAN-1-OL | EN300-7076406 | EN300-198663 | Z1255451065 | 2-Propenyl 2,4-hexadienoate, (E,E)- | 4-(Hydroxymethyl)cyclohexanol | AKOS024436796 | cis-4-Hydroxycyclohexanemethanol | MFCD09866843 | SCHEMBL45

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Sourires canoniques

C1CC(CCC1CO)O

IUPAC Name

4-(hydroxymethyl)cyclohexan-1-ol

InChIKey

VGRZISGVNOKTQU-UHFFFAOYSA-N

INCHI

1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2

Isomères SMILES

C1CC(CCC1CO)O

Poids moléculaire

130.19

Beilstein

6(4)5221

Reaxy-Rn

1920679

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1920679&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 Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Primary alcohol - 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: Soluble in Methanol
• Sensibilité: Hygroscopic
• Point de fusion (°C): 104 °C
• Poids moléculaire: 130.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 130.099 Da
• Monoisotopic Mass: 130.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 75.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3685-27-6, the molecular formula is C7H14O2, and the molecular weight is 130.19 g/mol. InChIKey VGRZISGVNOKTQU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.