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

CAS: 7515-29-9 Cat. No.: C194901 Formule: C₆H₁₂O Poids moléculaire: 100.16 Numéro 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CC(C1CCC1)O
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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