1-Methoxy-2-propanol(PGME) - ≥99.5% , CAS No.107-98-2

CAS: 107-98-2 Cat. No.: M105265 Peso molecular: 90.12 Beilstein Registry Number: 1(4)2471 Número EC: 203-539-1

GRADE & PURITY ≥99.5%

Synonyms

Propylene Glycol 1-Monomethyl Ether | Propyleneglycol monomethyl ether | Propylene glycol methyl ether

Storage

Room temperature

Shipped In

Normal

Descripción general

1-Methoxy-2-propanol (Propylene glycol methyl ether, PGME), a glycol ether, can be synthesized by reacting propylene oxide with methanol in the presence of ZnMgAl (zinc-magnesium-aluminium) catalysts.

Specifications

Sinónimos

Propylene Glycol 1-Monomethyl Ether | Propyleneglycol monomethyl ether | Propylene glycol methyl ether

Especificaciones y pureza

≥99.5%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99.5%

Nombres e identificadores

• Sonrisas canónicas: CC(COC)O
• IUPAC Name: 1-methoxypropan-2-ol
• InChIKey: ARXJGSRGQADJSQ-UHFFFAOYSA-N
• INCHI: 1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
• Isómeros SMILES: CC(COC)O
• RTECS: UB7700000
• Número ONU: 3092
• Grupo de embalaje: III
• Peso molecular: 90.12
• Beilstein: 1(4)2471
• Reaxy-Rn: 1718942
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718942&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Solubilidad: Strong solubility, low toxicity, and can be miscible with water and various organic solvents; Strong coupling properties; Low surface tension; Low viscosity; High evaporation rate.
• Sensibilidad: Hygroscopic;Air Sensitive
• Índice de refracción: 1.4
• Punto de inflamación (°C): 34 °C
• Punto de ebullición (°C): 118-120 °C(lit.)
• Punto de fusión (°C): -97℃
• Peso molecular: 90.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.0681 Da
• Monoisotopic Mass: 90.0681 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• 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

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