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

CAS: 4350-84-9 Cat. No.: H157245 Formule: C₇H₁₀O₂ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1CC2CCC1C(=O)O2
• Poids moléculaire: 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
    • Classe Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 123°C/11mmHg(lit.)
• Point de fusion (°C): 128 °C
• Poids moléculaire: 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