(2R,5R)-2,5-Hexanodiol - ≥98%(GC) , CAS No.17299-07-9

CAS: 17299-07-9 Cat. No.: R160953 Fórmula: C₆H₁₄O₂ Peso molecular: 118.18 Beilstein Registry Number: 1719250 Número EC: 624-343-6

GRADE & PURITY ≥98%(GC)

Synonyms

(2R,5R)-2,5-Hexanodiol | Q27461257 | 2,5-Hexanodiol,(2R,5R)- | T71918 | AKOS015839970 | (2R,5R)-2,5-Hexanodiol, >=99.0% (suma de enantiómeros, GC) | (2r,5r)-hexanodiol | RAC-2,5-dihidroxihexano | (-)-2,5-Hexanodiol | 2,5-Hexanodiol, (R*,R*)- | (r,r)-2,5-h

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

(2R,5R)-2,5-Hexanodiol | Q27461257 | 2,5-Hexanodiol,(2R,5R)- | T71918 | AKOS015839970 | (2R,5R)-2,5-Hexanodiol, >=99.0% (suma de enantiómeros, GC) | (2r,5r)-hexanodiol | RAC-2,5-dihidroxihexano | (-)-2,5-Hexanodiol | 2,5-Hexanodiol, (R*,R*)- | (r,r)-2,5-h

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C,cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504760997
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760997
• Sonrisas canónicas: CC(CCC(C)O)O
• IUPAC Name: (2R,5R)-hexane-2,5-diol
• InChIKey: OHMBHFSEKCCCBW-PHDIDXHHSA-N
• INCHI: 1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
• Isómeros SMILES: C[C@H](CC[C@@H](C)O)O
• WGK Alemania: 3
• Peso molecular: 118.18
• Beilstein: 1719250
• Reaxy-Rn: 1719248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Rotación específica [α]: -25° (C=1,EtOH)
• Punto de fusión (°C): 52 - 54°C
• Peso molecular: 118.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 46.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17299-07-9, the molecular formula is C6H14O2, and the molecular weight is 118.18 g/mol. InChIKey OHMBHFSEKCCCBW-PHDIDXHHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.