5,8-dioxaspiro[3.4]octan-2-one - ≥97% , CAS No.1824626-99-4

CAS: 1824626-99-4 Cat. No.: D630802 Summenformel: C₆H₈O₃ Molekulargewicht: 128.13 EG-Nummer: 866-790-1 PubChem CID: 22985500

GRADE & PURITY ≥97%

Synonyms

P20305 | 1824626-99-4 | MFCD24712320 | 5,8-dioxaspiro[3.4]octan-2-one | PB41477 | SY231338 | CID 22985500 | EN300-381065 | PS-16641 | SCHEMBL12367824

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

P20305 | 1824626-99-4 | MFCD24712320 | 5,8-dioxaspiro[3.4]octan-2-one | PB41477 | SY231338 | CID 22985500 | EN300-381065 | PS-16641 | SCHEMBL12367824

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528761208

Kanonisches Lächeln

C1COC2(O1)CC(=O)C2

IUPAC Name

5,8-dioxaspiro[3.4]octan-2-one

InChIKey

KARIQPWEPVPIQI-UHFFFAOYSA-N

INCHI

1S/C6H8O3/c7-5-3-6(4-5)8-1-2-9-6/h1-4H2

Isomere SMILES

C1COC2(O1)CC(=O)C2

Alternative CAS-Nummer

1824626-99-4

PubChem CID

22985500

Molekulargewicht

128.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Acetals
          • Ebene6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Ketal - Meta-dioxolane - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - Aliphatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 128.130 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.047 Da
• Monoisotopic Mass: 128.047 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 136.000
• 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