3-Methoxy-1-propanol - ≥98% , CAS No.1589-49-7

CAS: 1589-49-7 Cat. No.: M107732 Formula: C₄H₁₀O₂ Molecular Weight: 90.12 Beilstein Registry Number: 1731204 EC Number: 433-230-9

GRADE & PURITY ≥98%

Synonyms

3-Methoxy-1-propanol, >=98.0% (GC) | Bis(4-nitrophenyl) sulphide | FT-0671355 | AKOS005292551 | AM20080231 | METHYL ETHER of PROPYLENE GLYCOL (alpha) | 1,3-propylene glycol monomethyl ether | 1-Methoxy-3-hydroxypropane | 1,3-Propanediol Monomethyl Ether |

Storage

Room temperature

Shipped In

Normal

Overview

product description:

3-Methoxy-1-propanol is a primary alcohol. Kinetics of the reactions of 3-methoxy-1-propanol with phenyl isocyanate in the presence of metal catalysts has been reported. Selective synthesis of 3-methoxy-1-propanol from methanol and allyl alcohol with metal oxides and zeolites catalysts in the liquid phase has been studied.

Specifications

Synonyms

3-Methoxy-1-propanol, >=98.0% (GC) | Bis(4-nitrophenyl) sulphide | FT-0671355 | AKOS005292551 | AM20080231 | METHYL ETHER of PROPYLENE GLYCOL (alpha) | 1,3-propylene glycol monomethyl ether | 1-Methoxy-3-hydroxypropane | 1,3-Propanediol Monomethyl Ether |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488184873

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184873

Canonical Smiles

COCCCO

IUPAC Name

3-methoxypropan-1-ol

InChIKey

JDFDHBSESGTDAL-UHFFFAOYSA-N

INCHI

1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3

Isomeric SMILES

COCCCO

WGK Germany

1

RTECS

UB7650000

Molecular Weight

90.12

Beilstein

1731204

Reaxy-Rn

1731204

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731204&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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: Miscible with water, miscible with ethanol, benzene, ether, miscible with acetone, methanol
• Refractive Index: 1.413
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 38 °C
• Boil Point(°C): 150-153 °C
• Molecular Weight: 90.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• 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: 21.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1