4-Hydroxycyclohexanone ethylene acetal - ≥98% , CAS No.22428-87-1

CAS: 22428-87-1 Cat. No.: H135589 Formula: C₈H₁₄O₃ Peso molecolare: 158.19 Numero EC: 807-318-6

GRADE & PURITY ≥98%

Synonyms

DTXSID501027850 | FT-0677844 | 4-hydroxycyclohexanone ethylene monoketal | BBL103491 | 4,4-Ethylenedioxycyclohexanol | AB3685 | AM803544 | 4-Hydroxycyclohexanone monoethylene ketal | 8-Hydroxy-1,4-dioxaspiro[4.5]decane | 8-hydroxy-1,4-dioxa-spiro[4.5]deca

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

DTXSID501027850 | FT-0677844 | 4-hydroxycyclohexanone ethylene monoketal | BBL103491 | 4,4-Ethylenedioxycyclohexanol | AB3685 | AM803544 | 4-Hydroxycyclohexanone monoethylene ketal | 8-Hydroxy-1,4-dioxaspiro[4.5]decane | 8-hydroxy-1,4-dioxa-spiro[4.5]deca

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488190339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190339
• Sorrisi canonici: C1CC2(CCC1O)OCCO2
• IUPAC Name: 1,4-dioxaspiro[4.5]decan-8-ol
• InChIKey: HKQTYQDNCKMNHZ-UHFFFAOYSA-N
• INCHI: 1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
• Isomeri SMILES: C1CC2(CCC1O)OCCO2
• Peso molecolare: 158.19
• Reaxy-Rn: 107092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Ketal - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°C): 117°C
• Peso molecolare: 158.190 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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