cis-4-Hydroxycyclohexanecarboxylic Acid - ≥98%(T) , CAS No.3685-22-1

CAS: 3685-22-1 Cat. No.: C154122 Formule: C₇H₁₂O₃ Poids moléculaire: 144.17 Numéro CE: 680-039-3

GRADE & PURITY ≥98%(T)

Synonyms

PD124080 | Cyclohexanecarboxylic acid, 4-hydroxy-, trans- | dimethyl amine HCl salt | HCFRWBBJISAZNK-UHFFFAOYSA- | 4-Hydroxycyclohexane carboxylic acid | CHEBI:89341 | cis-4-Hydroxycyclohexane carboxylic acid | 4-hydroxycyclohexane | H0960 | H1175 | SB110

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

PD124080 | Cyclohexanecarboxylic acid, 4-hydroxy-, trans- | dimethyl amine HCl salt | HCFRWBBJISAZNK-UHFFFAOYSA- | 4-Hydroxycyclohexane carboxylic acid | CHEBI:89341 | cis-4-Hydroxycyclohexane carboxylic acid | 4-hydroxycyclohexane | H0960 | H1175 | SB110

Spécifications et pureté

≥98%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(T)

Noms et identifiants

• Pubchem Sid: 488188233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188233
• Sourires canoniques: C1CC(CCC1C(=O)O)O
• IUPAC Name: 4-hydroxycyclohexane-1-carboxylic acid
• InChIKey: HCFRWBBJISAZNK-UHFFFAOYSA-N
• INCHI: 1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
• Isomères SMILES: C1CC(CCC1C(=O)O)O
• Poids moléculaire: 144.17
• Reaxy-Rn: 2689806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689806&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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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

• Point de fusion (°C): 150 °C
• Poids moléculaire: 144.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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

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 3685-22-1, the molecular formula is C7H12O3, and the molecular weight is 144.17 g/mol. InChIKey HCFRWBBJISAZNK-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.