1-Methoxy-2-propanol(PGME) - ≥99% , CAS No.107-98-2

CAS: 107-98-2 Cat. No.: M105264 Formula: C₄H₁₀O₂ Molecular Weight: 90.12 Beilstein Registry Number: 1(4)2471 EC Number: 203-539-1

GRADE & PURITY ≥99%

Synonyms

1-Methoxy-2-hydroxypropane | CAS-107-98-2 | E72455 | FT-0608005 | (+/-)-1-methoxy-2-propanol | (+/-)2-methoxy-1-methylethanol | 1,2-PROPYLENE GLYCOL 1-MONOMETHYL ETHER | M0126 | Ucar solvent lm | AI3-15573 | EINECS 203-539-1 | 1-Methoxypropan-2-ol | Metho

Storage

Room temperature

Shipped In

Normal

Overview

A glycol ether and a good biological indicator of exposure.

Specifications

Synonyms

1-Methoxy-2-hydroxypropane | CAS-107-98-2 | E72455 | FT-0608005 | (+/-)-1-methoxy-2-propanol | (+/-)2-methoxy-1-methylethanol | 1,2-PROPYLENE GLYCOL 1-MONOMETHYL ETHER | M0126 | Ucar solvent lm | AI3-15573 | EINECS 203-539-1 | 1-Methoxypropan-2-ol | Metho

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488180603

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180603

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
• x_refractive_index: 1.4
• x_flash_point_drop_centigrade: 34 °C
• x_boil_point_char: 118-120 °C(lit.)
• x_melt_point_char: -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