(S)-(+)-2-Octanol - ≥98%(GC) , CAS No.6169-06-8

CAS: 6169-06-8 Cat. No.: S161171 Fórmula: C₈H₁₈O Peso molecular: 130.23 Beilstein Registry Number: 1(4)1770 Número CE: 228-213-6

GRADE & PURITY ≥98%(GC)

Synonyms

(S)-(+)-2-Octanol, 99% | D-(+)-OCTAN-2-OL | W-105112 | (S)-(+)-octan-2-ol | 2-Octanol (S) | A805175 | AKOS015840328 | (S)-2-OCTYL ALCOHOL | AKOS015889263 | d-2-octanol | LMFA05000551 | (S)-(+)-Hexylmethylcarbinol | SCHEMBL619761 | (+)-2-octanol | (S)-(+)-

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

pode ser utilizado (S)-(+)-2-Octanol:

- Para preparar a solução do derivado do ácido 5-(benziloxi)-isoftálico, que é utilizado como um sistema de auto-montagem quiral 2D compreendendo grafite pirolítica.

- Como um modelo quiral no estudo da esterificação enantioselectiva do glicidol.

- Como material de partida para a preparação de (+)-(S)-2-octil tosilato, um intermediário utilizado para preparar (-)-(R)-2-halo e azido octanos.

Specifications

Sinónimos

(S)-(+)-2-Octanol, 99% | D-(+)-OCTAN-2-OL | W-105112 | (S)-(+)-octan-2-ol | 2-Octanol (S) | A805175 | AKOS015840328 | (S)-2-OCTYL ALCOHOL | AKOS015889263 | d-2-octanol | LMFA05000551 | (S)-(+)-Hexylmethylcarbinol | SCHEMBL619761 | (+)-2-octanol | (S)-(+)-

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488192213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192213
• Sorrisos canónicos: CCCCCCC(C)O
• IUPAC Name: (2S)-octan-2-ol
• InChIKey: SJWFXCIHNDVPSH-QMMMGPOBSA-N
• INCHI: 1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
• SMILES isoméricas: CCCCCC[C@H](C)O
• Peso molecular: 130.23
• Beilstein: 1(4)1770
• Reaxy-Rn: 1719322
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719322&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: octan-2-ol

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

• Solubilidade: Soluble in water. (1.12 g/L) at 25°C
• Índice de refração: 1.43
• Rotação específica [α]: 10° (neat)
• Ponto de inflamação (°C): 76 °C
• Peso molecular: 130.229 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 52.500
• 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

Referências

1. Tian Lan, Chenxu Gao, Quyu Yuan, Jiaqi Wang, Hexin Zhang, Xiangyu Sun, Yushan Lei, Tingting Ma.  (2021)  Analysis of the Aroma Chemical Composition of Commonly Planted Kiwifruit Cultivars in China.  Foods,  10  (7): (1645).  [PMID:34359515] [10.3390/foods10071645]

2. Kunfeng Li, Wen Tan, Lingxia Huang, Jinhu Tian.  (2025)  Physicochemical Properties and Aroma Profiles of Golden Mulberry Fruits at Different Harvesting Stages.  MOLECULES,  30  (13): (2717).  [PMID:40649235] [10.3390/molecules30132717]