(S)-(+)-2-pentanol - ≥98%(GC) , CAS No.26184-62-3

CAS: 26184-62-3 Cat. No.: S138580 Fórmula: CH₃CH₂CH₂CH(OH)CH₃ Peso molecular: 88.15 Beilstein Registry Number: 1718820 Número CE: 700-266-4

GRADE & PURITY ≥98%(GC)

Synonyms

(S)-(+)-2-Pentanol | (s)(+)-2-pentanol | BDBM36158 | (S)-pentan-2-ol | s-2-pentanol | (s)-(-)-2-pentanol | EN300-253342 | AKOS015840326 | (S)-(+)-2-Pentanol, 98% | (2S)-2-pentanol | (S)-(+)-2-pentanol, ChiPros(R), produzido pela BASF, 98% | A5193 | P0743

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-(+)-2-Pentanol | (s)(+)-2-pentanol | BDBM36158 | (S)-pentan-2-ol | s-2-pentanol | (s)-(-)-2-pentanol | EN300-253342 | AKOS015840326 | (S)-(+)-2-Pentanol, 98% | (2S)-2-pentanol | (S)-(+)-2-pentanol, ChiPros(R), produzido pela BASF, 98% | A5193 | P0743

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 508806736
• Sorrisos canónicos: CCCC(C)O
• IUPAC Name: (2S)-pentan-2-ol
• InChIKey: JYVLIDXNZAXMDK-YFKPBYRVSA-N
• INCHI: 1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
• SMILES isoméricas: CCC[C@H](C)O
• WGK Alemanha: 2
• RTECS: SA4900000
• Número UN: 1105
• Grupo de embalagem: III
• Peso molecular: 88.15
• Beilstein: 1718820
• Reaxy-Rn: 1718819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718819&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 acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic 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

• Ponto de inflamação (°F): 93.2 °F
• Ponto de inflamação (°C): 34 °C
• Ponto de ebulição (°C): 118-119 °C
• Peso molecular: 88.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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