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

CAS: 22428-87-1 Cat. No.: H135589 분자식: C₈H₁₄O₃ 분자량: 158.19 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488190339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190339
• 정식 스마일: 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
• 이성체 SMILES: C1CC2(CCC1O)OCCO2
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 발화점(°C): 117°C
• 분자량: 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