1,8-Octanediol - ≥98% , CAS No.629-41-4

CAS: 629-41-4 Cat. No.: O106925 Fórmula: C₈H₁₈O₂ Peso molecular: 146.23 Beilstein Registry Number: 1633499 Número EC: 211-090-8

GRADE & PURITY ≥98%

Synonyms

O0024 | .ALPHA.,.OMEGA.-OCTANEDIOL | UNII-806K32R50Z | EINECS 211-090-8 | NSC 81228 | 806K32R50Z | Octamethylene glycol | BDBM22602 | AC-662 | BCP26060 | O12036 | Q3348792 | A834108 | DTXSID2022416 | Octan-1,8-diol | CCG-40427 | ODI | 1,8-Dihydroxyoctane

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

1,8-Octanediol is a monomer used in polymer synthesis. It has bacteriocidal properties and has been used in emollients.
A monomer used in polymer synthesis

Specifications

Sinónimos

O0024 | .ALPHA.,.OMEGA.-OCTANEDIOL | UNII-806K32R50Z | EINECS 211-090-8 | NSC 81228 | 806K32R50Z | Octamethylene glycol | BDBM22602 | AC-662 | BCP26060 | O12036 | Q3348792 | A834108 | DTXSID2022416 | Octan-1,8-diol | CCG-40427 | ODI | 1,8-Dihydroxyoctane

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504754386

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754386

Sonrisas canónicas

C(CCCCO)CCCO

IUPAC Name

octane-1,8-diol

InChIKey

OEIJHBUUFURJLI-UHFFFAOYSA-N

INCHI

1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

Isómeros SMILES

C(CCCCO)CCCO

WGK Alemania

3

Peso molecular

146.23

Beilstein

1633499

Reaxy-Rn

1633499

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633499&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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: octanediol

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 (partly), and methanol (almost transparency).
• Sensibilidad: Moisture & light sensitive.
• Punto de inflamación (°F): 248 °F
• Punto de inflamación (°C): 148℃
• Punto de ebullición (°C): 172 °C
• Punto de fusión (°C): 57°C-61°C
• Peso molecular: 146.230 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 146.131 Da
• Monoisotopic Mass: 146.131 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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