1,5-Hexanediol - ≥99% , CAS No.928-40-5

CAS: 928-40-5 Cat. No.: H474422 Fórmula: CH₃CH(OH)(CH₂)₄OH Peso molecular: 118.17 Número CE: 213-171-3

GRAU & PUREZA ≥99%

Synonyms

(+/-)-1,5-Hexanediol|1,5-Hexanediol|3-cyclopentyl-4-nitroisoxazole-5-carboxamide|Hexane-1,5-diol

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Surface tension and binding constants were studied for 1,5-hexanediol.

Especificações

Sinónimos

(+/-)-1,5-Hexanediol | 1,5-Hexanediol | 3-cyclopentyl-4-nitroisoxazole-5-carboxamide | Hexane-1,5-diol

Especificações e pureza

≥99%

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

≥99%

Nomes e identificadores

Pubchem Sid

508807115

Sorrisos canónicos

CC(CCCCO)O

IUPAC Name

hexane-1,5-diol

InChIKey

UNVGBIALRHLALK-UHFFFAOYSA-N

INCHI

1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3

SMILES isoméricas

CC(CCCCO)O

WGK Alemanha

2

RTECS

MO2080000

Peso molecular

118.17

Reaxy-Rn

1732705

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732705&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 Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 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

• Índice de refração: n20/D 1.451 (lit.)
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 89-91 °C/0.5 mmHg (lit.)
• Peso molecular: 118.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 45.800
• 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