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

CAS: 4254-14-2 Cat. No.: P101749 Molecular Weight: 76.09 Beilstein Registry Number: 1718872 EC Number: 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

Overview

R-(-)-1,2-Propanediol is metabolized in the rumen fluid of cattle through rumen microbial flora and releases sulfur-containing gas.

Specifications

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 |

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504758186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758186
• Canonical Smiles: 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
• Isomeric SMILES: C[C@H](CO)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

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

Chemical and Physical Properties

• Sensitivity: Hygroscopic.
• Refractive Index: 1.434
• Specific Rotation[α]: -17 ° (neat)
• Flash Point(°F): 217.4 °F
• Flash Point(°C): 103 °C
• Boil Point(°C): 186-188°C
• Molecular Weight: 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

References

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]