Cyclohexanecarboxylic Anhydride - ≥98%(GC) , CAS No.22651-87-2

CAS: 22651-87-2 Cat. No.: C153926 Formula: C₁₄H₂₂O₃ Molecular Weight: 238.33 EC Number: 245-146-8

GRADE & PURITY ≥98%(GC)

Synonyms

NSC 75109 | NSC75109 | NSC-75109 | SY051256 | A925523 | AKOS025396908 | CHZ4DJ2FT2 | Cyclohexanecarboxylic acid anhydride | cyclohexane carboxylic anhydride | cyclohexanecarbonyl cyclohexanecarboxylate | DTXSID90177194 | UNII-CHZ4DJ2FT2 | Cyclohexanecarbo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC 75109 | NSC75109 | NSC-75109 | SY051256 | A925523 | AKOS025396908 | CHZ4DJ2FT2 | Cyclohexanecarboxylic acid anhydride | cyclohexane carboxylic anhydride | cyclohexanecarbonyl cyclohexanecarboxylate | DTXSID90177194 | UNII-CHZ4DJ2FT2 | Cyclohexanecarbo

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 528773251
• Canonical Smiles: C1CCC(CC1)C(=O)OC(=O)C2CCCCC2
• IUPAC Name: cyclohexanecarbonyl cyclohexanecarboxylate
• InChIKey: JOHUAELJNSBTGS-UHFFFAOYSA-N
• INCHI: 1S/C14H22O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
• Isomeric SMILES: C1CCC(CC1)C(=O)OC(=O)C2CCCCC2
• Molecular Weight: 238.33
• Reaxy-Rn: 527064
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=527064&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• x_refractive_index: 1.48
• x_flash_point_drop_centigrade: 161 °C
• x_boil_point_char: 156 °C/0.7 mmHg
• Molecular Weight: 238.320 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 238.157 Da
• Monoisotopic Mass: 238.157 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 245.000
• 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

References

1. Wanqin Wu, Songsong Zhu, Jintao Xia, Feng Jiang, Xiaolong Fan, Li Zhang.  (2025)  Separation, identification, and quantification of dicyclohexylformyl oxyphenisatin, an illegal additive, from a fruit and vegetable plum.  Journal of Chromatography Open,      [PMID:] [10.1016/j.jcoa.2025.100214]