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

CAS: 872-53-7 Cat. No.: C122650 분자식: C₅H₉CHO 분자량: 98.14 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%, contains 0.1% hydroquinone as stabilizer

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 508814744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508814744
• 정식 스마일: 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
• 이성체 SMILES: C1CCC(C1)C=O
• WGK 독일: 3
• UN 번호: 1989
• 분자량: 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
    • 분류 Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water and ethanol
• 감도: Heat sensitive; Air sensitive
• 굴절률: 1.443
• 발화점(°F): 82.4 °F
• 발화점(°C): 28 °C
• 끓는점(°C): 140-141°C
• 분자량: 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

참고 문헌

1. Jing Zhang, Xun Kuang, Linyu Zhu, Xintong Xiao, Zhongyue Zhou, Fei Qi.  (2024)  Sustainable production of cyclohexanones through hydrodeoxygenation of lignin-derived phenolics over PdFe/HZSM-5 catalysts.  FUEL,      [PMID:] [10.1016/j.fuel.2024.133863]

2. Yingxuan Zhao, Chenyang Shen, Qing Liu, Siyuan Zhao, Ruiyao Zhao, Xiangke Guo, Nianhua Xue, Luming Peng, Xuefeng Guo, Yan Zhu, Weiping Ding.  (2026)  Electrocatalytic oxidation or amidation of olefins by asymmetric electrolytes steering carbocation pathways.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC07050C]