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

CAS: 6169-06-8 Cat. No.: S161171 Peso molecular: 130.23 Beilstein Registry Number: 1(4)1770 Número EC: 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,Cool

Shipped In

Normal

Descripción general

(S)-(+)-2-Octanol can be used:

· To prepare the solution of 5-(benzyloxy)-isophthalic acid derivative, which is used as a 2D chiral self-assembly system comprising pyrolytic graphite.

· As a chiral template in the study of enantioselective glycidol esterification.

· As a starting material for the preparation of (+)-(S)-2-octyI tosylate, an intermediate used to prepare (-)-(R)-2-halo and azido octanes.

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)-(+)-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488192213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192213
• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water. (1.12 g/L) at 25°C
• Índice de refracción: 1.43
• Rotación específica [α]: 10° (neat)
• Punto de inflamación (°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

Referencias

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]