1,2-Nonanediol - ≥95% , CAS No.42789-13-9

CAS: 42789-13-9 Cat. No.: N159707 Fórmula: C₉H₂₀O₂ Peso molecular: 160.26

GRADE & PURITY ≥95%

Synonyms

1,2-Dihydroxynonane | MFCD01861291 | SCHEMBL82437 | NSC48030 | NSC-48030 | N0651 | nonane-1,2-diol | 1,2-Nonanediol | DTXSID10286853 | T72466 | FT-0606472

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1,2-Dihydroxynonane | MFCD01861291 | SCHEMBL82437 | NSC48030 | NSC-48030 | N0651 | nonane-1,2-diol | 1,2-Nonanediol | DTXSID10286853 | T72466 | FT-0606472

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528753674

Sorrisos canónicos

CCCCCCCC(CO)O

IUPAC Name

nonane-1,2-diol

InChIKey

LJZULWUXNKDPCG-UHFFFAOYSA-N

INCHI

1S/C9H20O2/c1-2-3-4-5-6-7-9(11)8-10/h9-11H,2-8H2,1H3

SMILES isoméricas

CCCCCCCC(CO)O

Peso molecular

160.26

Reaxy-Rn

1698673

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698673&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 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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: 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

• Solubilidade: Soluble in Methanol
• Ponto de ebulição (°C): 155°C/17mmHg(lit.)
• Ponto de fusão (°C): 35.0-38.0 °C
• Peso molecular: 160.250 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 160.146 Da
• Monoisotopic Mass: 160.146 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 74.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1