(R)-(-)-1,2-propanediol - ≥99% , CAS No.4254-14-2

CAS: 4254-14-2 Cat. No.: P101749 Peso molecular: 76.09 Beilstein Registry Number: 1718872 Número EC: 610-038-5

GRADE & PURITY ≥99%

Synonyms

(-)-1,2-Propanediol | (R)-2-Hydroxy-1-propanol | 1-Deoxy-sn-glycerol | Chilisa FE | Prolugen | DTXSID201009429 | C3H8O2 | CHEBI:28972 | AKOS000116620 | (R)-Propane-1,2-diol | A905496 | MFCD00066248 | (-)-Propylene glycol | Q63395257 | R-1,2-PROPANEDIOL |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

El R-(-)-1,2-Propanediol se metaboliza en el líquido ruminal del ganado vacuno a través de la flora microbiana del rumen y libera gases que contienen azufre.

Specifications

Sinónimos

(-)-1, 2-Propanediol | (R)-2-Hydroxy-1-propanol | 1-Deoxy-sn-glycerol | Chilisa FE | Prolugen | DTXSID201009429 | C3H8O2 | CHEBI:28972 | AKOS000116620 | (R)-Propane-1, 2-diol | A905496 | MFCD00066248 | (-)-Propylene glycol | Q63395257 | R-1, 2-PROPANEDIOL |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504758186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758186
• Sonrisas canónicas: CC(CO)O
• IUPAC Name: (2R)-propane-1,2-diol
• InChIKey: DNIAPMSPPWPWGF-GSVOUGTGSA-N
• INCHI: 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
• Isómeros SMILES: C[C@H](CO)O
• WGK Alemania: 3
• Peso molecular: 76.09
• Beilstein: 1718872
• Reaxy-Rn: 1340498
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340498&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• External Descriptors: propane-1,2-diol

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: Hygroscopic.
• Índice de refracción: 1.434
• Rotación específica [α]: -17 ° (neat)
• Punto de inflamación (°F): 217.4 °F
• Punto de inflamación (°C): 103 °C
• Punto de ebullición (°C): 186-188°C
• Peso molecular: 76.090 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 76.0524 Da
• Monoisotopic Mass: 76.0524 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 20.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Xueru Guo, Zhi Tong, Anqi Li, Yajie Zhou, Zeyi Li, Jing Lin, Yaxin Wang, Mingjiang Zhang, Taotao Zhuang.  (2024)  Mechanically Driven, Continuous Synthesis of Chiroplasmonic Assemblies.  Journal of the American Chemical Society,      [PMID:39531558] [10.1021/jacs.4c09671]