(S)-(+)-1,2-Propanediol - ≥98% , CAS No.4254-15-3

CAS: 4254-15-3 Cat. No.: P101750 Molecular Weight: 76.09 Beilstein Registry Number: 1718871 EC Number: 610-039-0

GRADE & PURITY ≥98%

Synonyms

(S)-(+)-Propanediol | (S)-1,2-dihydroxypropane | MFCD00004539 | Propane-1,2-diol, (S)-(+)- | DB04349 | Z1255449993 | (2S)-propane-1,2diol | (2S)-propane-1,2-diol | 1,2-Propanediol, (S)- | C02917 | (S)-(+)-1,2-Propanediol, 96% | 942194N4TD | D-PROPYLENE GL

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

(S)-(+)-1,2-Propanediol acts as an organic solvent and diluent used in pharmaceutical preparations. It is also used as a chiral synthetic intermediate and substrate for enzyme studies.

Specifications

Synonyms

(S)-(+)-Propanediol | (S)-1, 2-dihydroxypropane | MFCD00004539 | Propane-1, 2-diol, (S)-(+)- | DB04349 | Z1255449993 | (2S)-propane-1, 2diol | (2S)-propane-1, 2-diol | 1, 2-Propanediol, (S)- | C02917 | (S)-(+)-1, 2-Propanediol, 96% | 942194N4TD | D-PROPYLENE GL

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758721
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758721
• Canonical Smiles: CC(CO)O
• IUPAC Name: (2S)-propane-1,2-diol
• InChIKey: DNIAPMSPPWPWGF-VKHMYHEASA-N
• INCHI: 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
• Isomeric SMILES: C[C@@H](CO)O
• WGK Germany: 1
• Molecular Weight: 76.09
• Beilstein: 1718871
• 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

• Solubility: Miscible with water.
• Sensitivity: Hygroscopic.
• Refractive Index: 1.432
• Specific Rotation[α]: 16.5 ° (neat)
• Flash Point(°F): 103 °C
• 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. Chen-Yan Zheng, Hai-Long Qian, Cheng Yang, Xu-Qin Ran, Xiu-Ping Yan.  (2023)  Pure Covalent-Organic Framework Membrane as a Label-Free Biomimetic Nanochannel for Sensitive and Selective Sensing of Chiral Flavor Substances.  ACS Sensors,      [PMID:38054443] [10.1021/acssensors.3c01849]