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

CAS: 928-40-5 Cat. No.: H474422 Formula: CH₃CH(OH)(CH₂)₄OH Peso molecolare: 118.17 Numero EC: 213-171-3

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508807115

Sorrisi canonici

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

Isomeri SMILES

CC(CCCCO)O

WGK Germania

2

RTECS

MO2080000

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.451 (lit.)
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 89-91 °C/0.5 mmHg (lit.)
• Peso molecolare: 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