Cyclopentanecarboxaldehyde - ≥98%, contains 0.1% hydroquinone as stabilizer , CAS No.872-53-7

CAS: 872-53-7 Cat. No.: C122650 Formula: C₅H₉CHO Molecular Weight: 98.14 EC Number: 212-829-7

GRADE & PURITY ≥98%, contains 0.1% hydroquinone as stabilizer

Synonyms

Cyclopentanecarbaldehyde, 0.1% hydroquinone as stabilizer | cyclopentanecaboxaldehyde | C3019 | Formylcyclopentane | Cyclopentanecarbaldehyde | EN300-57255 | Cyclopentanecarboxaldehyde (25ppm 1,4-Benzoquinone as stabiliser) | BBL100156 | Cyclopentanealdeh

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Cyclopentanecarboxaldehyde can be prepared from cyclohexene, via copper-catalyzed oxidation with persulfate. It can also be synthesized from mercuric sulfate and cyclohexene.

Cyclopentanecarboxaldehyde may be used in the synthesis of:

· D,L-trans-2-cyclopentylmethylene-1-nitroso-1-(2-hydroxycyclohexyl)hydrazine

· ethyl 5-cyclopentyl-5-hydroxy-2-pentenoate

· ethyl 3-cyclo entyl-3-hydroxy-2-vinylpropanoate

Specifications

Synonyms

Cyclopentanecarbaldehyde, 0.1% hydroquinone as stabilizer | cyclopentanecaboxaldehyde | C3019 | Formylcyclopentane | Cyclopentanecarbaldehyde | EN300-57255 | Cyclopentanecarboxaldehyde (25ppm 1,4-Benzoquinone as stabiliser) | BBL100156 | Cyclopentanealdeh

Specifications & Purity

≥98%, contains 0.1% hydroquinone as stabilizer

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508814744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508814744
• Canonical Smiles: C1CCC(C1)C=O
• IUPAC Name: cyclopentanecarbaldehyde
• InChIKey: VELDYOPRLMJFIK-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2
• Isomeric SMILES: C1CCC(C1)C=O
• WGK Germany: 3
• UN Number: 1989
• Molecular Weight: 98.14
• Reaxy-Rn: 1560515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and ethanol
• Sensitivity: Heat sensitive; Air sensitive
• Refractive Index: 1.443
• Flash Point(°F): 82.4 °F
• Flash Point(°C): 28 °C
• Boil Point(°C): 140-141°C
• Molecular Weight: 98.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.600
• 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