1-Methoxy-2-propanol（PGME） - PrimorTrace™ Ultra, electronic grade, ≥99.9999% metals basis , CAS No.107-98-2

CAS: 107-98-2 Cat. No.: M299436 Molecular Weight: 90.12 Beilstein Registry Number: 1(4)2471 EC Number: 203-539-1

GRADE & PURITY Electronic grade, PrimorTrace™ Ultra, ≥99.9999% metals basis

Synonyms

Propyleneglycol monomethyl ether | Propylene Glycol 1-Monomethyl Ether

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Propyleneglycol monomethyl ether | Propylene Glycol 1-Monomethyl Ether

Specifications & Purity

PrimorTrace™ Ultra, electronic grade, ≥99.9999% metals basis

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Grade

Electronic grade, PrimorTrace™ Ultra

Purity

≥99.9999% metals basis

Names and Identifiers

• Pubchem Sid: 504751498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751498
• Canonical Smiles: 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
• Isomeric SMILES: CC(COC)O
• RTECS: UB7700000
• UN Number: 3092
• Packing Group: III
• Molecular Weight: 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
    • 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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - 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: 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.
• Sensitivity: Hygroscopic；Sensitive to light；Air sensitive
• Refractive Index: 1.4
• Flash Point(°C): 34 °C
• Boil Point(°C): 118-120 °C(lit.)
• Melt Point(°C): -97℃
• Molecular Weight: 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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