1,2-Propanediol - electronic grade, UP grade, ≥99% , CAS No.57-55-6

CAS: 57-55-6 Cat. No.: P1523622 Formula: C₃H₈O₂ Molecular Weight: 76.09 Beilstein Registry Number: 1340498 EC Number: 200-338-0

GRADE & PURITY Electronic grade, UP grade, ≥99%

Synonyms

1,2-PDO | 1,2-(RS)-Propanediol | propylene glycerol | propylenglycol | (±)-1,2-Propanediol

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

1,2-Propanediol can be obtained as a byproduct in the dehydration of glycerol to hydroxyacetone.It can undergo condensation with sebacic acid and citric acid in the absence of catalyst to give poly((1,2-propanediol-sebacate)-citrate) (PPSC), an elastomeric polyester, which can find applications in tissue engineering and drug delivery.
Purpose
1,2-Propanediol has been used:
for removing excess Oil Red O stain in zebrafish larvae.
in the preparation of alginate hydrogels.
for the dissolution of androstenone.
for the calibration of cone beam scanner in computed tomography.

Specifications

Synonyms

1,2-PDO | 1,2-(RS)-Propanediol | propylene glycerol | propylenglycol | (±)-1,2-Propanediol

Specifications & Purity

electronic grade, UP grade, ≥99%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Grade

Electronic grade, UP grade

Purity

≥99%

Names and Identifiers

Canonical Smiles

CC(CO)O

IUPAC Name

propane-1,2-diol

InChIKey

DNIAPMSPPWPWGF-UHFFFAOYSA-N

INCHI

1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

Isomeric SMILES

CC(CO)O

WGK Germany

1

RTECS

TY2000000

Molecular Weight

76.09

Beilstein

1340498

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: DL-12-Propanediol

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: Soluble in acetone, chloroform, and ether
• Sensitivity: Light and Moisture Sensitive
• Refractive Index: 1.432-1.434
• Flash Point(°F): 210.2℉
• Flash Point(°C): 99℃
• Boil Point(°C): 188.2°C
• Melt Point(°C): -59°C(lit.)
• 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1