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

CAS: 17299-07-9 Cat. No.: R160953 Formule: C₆H₁₄O₂ Poids moléculaire: 118.18 Beilstein Registry Number: 1719250 Numéro CE: 624-343-6

GRADE & PURITY ≥98%(GC)

Synonyms

(2R,5R)-2,5-Hexanediol | Q27461257 | 2,5-Hexanediol,(2R,5R)- | T71918 | AKOS015839970 | (2R,5R)-2,5-Hexanediol, >=99.0% (sum of enantiomers, GC) | (2r,5r)-hexanediol | RAC-2,5-dihydroxyhexane | (-)-2,5-Hexanediol | 2,5-Hexanediol, (R*,R*)- | (r,r)-2,5-hex

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

(2R,5R)-2,5-Hexanediol | Q27461257 | 2,5-Hexanediol,(2R,5R)- | T71918 | AKOS015839970 | (2R,5R)-2,5-Hexanediol, >=99.0% (sum of enantiomers, GC) | (2r,5r)-hexanediol | RAC-2,5-dihydroxyhexane | (-)-2,5-Hexanediol | 2,5-Hexanediol, (R*,R*)- | (r,r)-2,5-hex

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504760997

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760997

Sourires canoniques

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

Isomères SMILES

C[C@H](CC[C@@H](C)O)O

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Rotation spécifique [α]: -25° (C=1,EtOH)
• Point de fusion (°C): 52 - 54°C
• Poids moléculaire: 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

Foire aux questions

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.