Poly(propylene glycol)（PPG） - average Mw 400 , CAS No.25322-69-4

CAS: 25322-69-4 Cat. No.: P103209 EC Number: 500-039-8

GRADE & PURITY average Mw 400

Synonyms

DTXSID30861722 | Niax ppg 3025 | Q26863457 | FT-0696553 | Lineartop E | SCHEMBL15111 | AKOS015899603 | Jeffox PPG 400 | Poly[oxy(methyl-1,2-ethanediyl)], a-hydro-w-hydroxy- | 1-Propanol, 2-(2-hydroxypropoxy)- | 2-(2-HYDROXYPROPOXY)-1-PROPANOL | 2-(2-Hydro

Storage

Room temperature

Shipped In

Normal

Overview

Propylene glycol is a kind of fatty alcohol. It is a propylene glycol addition polymer, which is stored as HOCH3nOH in water, and n represents the average number of oxypropylene groups.

Propylene glycol (PPG) can be used as a reagent, solvent and aromatic component to reduce viscosity in cosmetics. PPG is a good swelling agent, which can be used to synthesize macroporous and mesoporous materials.

Specifications

Synonyms

DTXSID30861722 | Niax ppg 3025 | Q26863457 | FT-0696553 | Lineartop E | SCHEMBL15111 | AKOS015899603 | Jeffox PPG 400 | Poly[oxy(methyl-1, 2-ethanediyl)], a-hydro-w-hydroxy- | 1-Propanol, 2-(2-hydroxypropoxy)- | 2-(2-HYDROXYPROPOXY)-1-PROPANOL | 2-(2-Hydro

Specifications & Purity

average Mw 400

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(CO)OCC(C)O
• IUPAC Name: 2-(2-hydroxypropoxy)propan-1-ol
• InChIKey: DUFKCOQISQKSAV-UHFFFAOYSA-N
• INCHI: 1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3
• Isomeric SMILES: CC(CO)OCC(C)O
• WGK Germany: 1
• RTECS: TR5250000
• Reaxy-Rn: 1736302
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736302&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Primary alcohol - 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

Chemical and Physical Properties

• Solubility: Insoluble in cold water.
• Refractive Index: 1.447
• Flash Point(°F): 445.0 °F
• Flash Point(°C): 229.44℃
• Molecular Weight: 134.170 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.094 Da
• Monoisotopic Mass: 134.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 65.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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