1-Cyclobutylethanol - ≥95% , CAS No.7515-29-9

CAS: 7515-29-9 Cat. No.: C194901 Fórmula: C₆H₁₂O Peso molecular: 100.16 Número CE: 964-412-0

GRADE & PURITY ≥95%

Synonyms

1-Cyclobutylethanol | 1-cyclobutyl-ethanol | (S)-1-Cyclobutylethanol | 1-Cyclobutylethanol # | EN300-98181 | MFCD00061039 | MFCD21118017 | Z1198149695 | SCHEMBL126872 | AKOS006273266 | AS-30691 | AMY16099 | FT-0650248 | A9589 | 1-CYCLOBUTYLETHAN-1-OL | SY

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-Cyclobutylethanol | 1-cyclobutyl-ethanol | (S)-1-Cyclobutylethanol | 1-Cyclobutylethanol # | EN300-98181 | MFCD00061039 | MFCD21118017 | Z1198149695 | SCHEMBL126872 | AKOS006273266 | AS-30691 | AMY16099 | FT-0650248 | A9589 | 1-CYCLOBUTYLETHAN-1-OL | SY

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CC(C1CCC1)O
• IUPAC Name: 1-cyclobutylethanol
• InChIKey: PFGPCAYJUYSJJS-UHFFFAOYSA-N
• INCHI: 1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
• SMILES isoméricas: CC(C1CCC1)O
• Peso molecular: 100.16
• Reaxy-Rn: 2231781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2231781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

• Peso molecular: 100.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 57.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1