Cyclopentaneacetaldehyde - ≥95% , CAS No.5623-81-4

CAS: 5623-81-4 Cat. No.: C347212 Fórmula: C₇H₁₂O Peso molecular: 112.17 Número CE: 817-991-8

GRADE & PURITY ≥95%

Synonyms

MFCD09744988 | F2147-1742 | EN300-70446 | 2-cyclopentylacetaldehyde | 2-cyclopentyl-acetaldehyde | SCHEMBL388985 | SB37679 | AS-47043 | A830967 | AMY18693 | cyclopentyl acetaldehyde | CEUXIAUEIGSQSZ-UHFFFAOYSA-N | CYCLOPENTANEACETALDEHYDE | cyclopentane-a

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD09744988 | F2147-1742 | EN300-70446 | 2-cyclopentylacetaldehyde | 2-cyclopentyl-acetaldehyde | SCHEMBL388985 | SB37679 | AS-47043 | A830967 | AMY18693 | cyclopentyl acetaldehyde | CEUXIAUEIGSQSZ-UHFFFAOYSA-N | CYCLOPENTANEACETALDEHYDE | cyclopentane-a

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1CCC(C1)CC=O
• IUPAC Name: 2-cyclopentylacetaldehyde
• InChIKey: CEUXIAUEIGSQSZ-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c8-6-5-7-3-1-2-4-7/h6-7H,1-5H2
• SMILES isoméricas: C1CCC(C1)CC=O
• Peso molecular: 112.17
• Reaxy-Rn: 506607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506607&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl 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

Propriedades químicas e físicas

• Ponto de inflamação (°C): 44.9 °C
• Ponto de fusão (°C): 165.3 °C at 760 mmHg
• Peso molecular: 112.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• 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