Methyl Propargyl Ether - ≥98%(GC) , CAS No.627-41-8

CAS: 627-41-8 Cat. No.: M157951 Molecular Weight: 70.09 Beilstein Registry Number: 878166 EC Number: 210-998-1

GRADE & PURITY ≥98%(GC)

Synonyms

3-Methoxy-1-propyne | Methyl propargyl ether, >=97% | methyl propargylether | HC.$.CCH2OCH3 | Methyl propargyl ether | AKOS015837691 | FT-0628337 | AT19953 | Methyl 2-propynyl ether;3-Methoxypropyne;3-Methoxyprop-1-yne | 1-Propyne, 3-methoxy- | InChI=1/C4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Methyl propargyl ether was used in the synthesis of [Ru3(μ3-κ(2)-HNNMe2)(μ3-κ(2)-MeOCH2CCH2)(μ-CO)2(CO)6]

Specifications

Synonyms

3-Methoxy-1-propyne | Methyl propargyl ether, >=97% | methyl propargylether | HC.$.CCH2OCH3 | Methyl propargyl ether | AKOS015837691 | FT-0628337 | AT19953 | Methyl 2-propynyl ether;3-Methoxypropyne;3-Methoxyprop-1-yne | 1-Propyne, 3-methoxy- | InChI=1/C4

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504754382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754382
• Canonical Smiles: COCC#C
• IUPAC Name: 3-methoxyprop-1-yne
• InChIKey: YACFFSVYSPMSGS-UHFFFAOYSA-N
• INCHI: 1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3
• Isomeric SMILES: COCC#C
• WGK Germany: 3
• Molecular Weight: 70.09
• Beilstein: 878166
• Reaxy-Rn: 878166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878166&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: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Dialkyl ether - Hydrocarbon derivative - 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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Refractive Index: 1.4
• Flash Point(°F): -.4 °F
• Flash Point(°C): -18°C
• Boil Point(°C): 61-62 °C
• Molecular Weight: 70.090 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 70.0419 Da
• Monoisotopic Mass: 70.0419 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 47.900
• 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