4-Hydroxy-1-cyclohexanecarboxylic Acid δ-Lactone - ≥98% , CAS No.4350-84-9

CAS: 4350-84-9 Cat. No.: H157245 Summenformel: C₇H₁₀O₂ Molekulargewicht: 126.16 Beilstein Registry Number: 17(5)9,167

GRADE & PURITY ≥98%

Synonyms

3,6-Ethanotetrahydropyran-2-one | NVORRKXXHHFWDH-UHFFFAOYSA-N | SCHEMBL23096847 | 4-Hydroxy-1-cyclohexanecarboxylic Acid delta-Lactone | 2-Oxabicyclo(2.2.2)octan-3-one | SCHEMBL110922 | 2-Oxabicyclo[2.2.2]octan-3-one | DTXSID60195865

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

3,6-Ethanotetrahydropyran-2-one | NVORRKXXHHFWDH-UHFFFAOYSA-N | SCHEMBL23096847 | 4-Hydroxy-1-cyclohexanecarboxylic Acid delta-Lactone | 2-Oxabicyclo(2.2.2)octan-3-one | SCHEMBL110922 | 2-Oxabicyclo[2.2.2]octan-3-one | DTXSID60195865

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1CC2CCC1C(=O)O2
• IUPAC Name: 2-oxabicyclo[2.2.2]octan-3-one
• InChIKey: NVORRKXXHHFWDH-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c8-7-5-1-3-6(9-7)4-2-5/h5-6H,1-4H2
• Isomere SMILES: C1CC2CCC1C(=O)O2
• Molekulargewicht: 126.16
• Beilstein: 17(5)9,167
• Reaxy-Rn: 2656
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2656&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Delta_valerolactone - Delta valerolactone - Oxane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• 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: Air Sensitive
• Siedepunkt (°C): 123°C/11mmHg(lit.)
• Schmelzpunkt (°C): 128 °C
• Molekulargewicht: 126.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 134.000
• 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