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

CAS: 629-41-4 Cat. No.: O106925 Formule: C₈H₁₈O₂ Poids moléculaire: 146.23 Beilstein Registry Number: 1633499 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504754386

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C(CCCCO)CCCO

WGK Allemagne

3

Poids moléculaire

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
    • 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: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly), and methanol (almost transparency).
• Sensibilité: Moisture & light sensitive.
• Point d'éclair (°F): 248 °F
• Point d'éclair (°C): 148℃
• Point d'ébullition (°C): 172 °C
• Point de fusion (°C): 57°C-61°C
• Poids moléculaire: 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