Acrolein Dimethyl Acetal - ≥97%(GC) , CAS No.6044-68-4

CAS: 6044-68-4 Cat. No.: A151049 Molecular Weight: 102.13 EC Number: 227-936-4

GRADE & PURITY ≥97%(GC)

Synonyms

NSC84156 | NSC-84156 | 3,3-Dimethoxypropene | 3,3-dimethoxy-propene | acroleindimethylacetal | Acrolein dimethyl acetal, 98% | A832731 | 5-bormo-2-methylpyridine | F8889-1433 | NSC 84156 | Acrolein dimethyl acetal | AI3-37780 | SCHEMBL243362 | 3,3-Dimetho

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

product description：

Acrolein dimethyl acetal undergoes cationic α-diimine palladium chelate catalyzed copolymerization with ethene to yield branched copolymers.

application：

Acrolein dimethyl acetal was used in the facile one step synthesis of 4-hydroxy-2E-nonenal and its dimethyl acetal via a cross-metathesis reaction with octen-3-ol.

Specifications

Synonyms

NSC84156 | NSC-84156 | 3, 3-Dimethoxypropene | 3, 3-dimethoxy-propene | acroleindimethylacetal | Acrolein dimethyl acetal, 98% | A832731 | 5-bormo-2-methylpyridine | F8889-1433 | NSC 84156 | Acrolein dimethyl acetal | AI3-37780 | SCHEMBL243362 | 3, 3-Dimetho

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: COC(C=C)OC
• IUPAC Name: 3,3-dimethoxyprop-1-ene
• InChIKey: OBWGMYALGNDUNM-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
• Isomeric SMILES: COC(C=C)OC
• WGK Germany: 3
• RTECS: UC8500000
• UN Number: 1993
• Packing Group: II
• Molecular Weight: 102.13
• Reaxy-Rn: 1700037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700037&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: Acetals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.40
• Flash Point(°F): 26.6 °F
• Flash Point(°C): -3 °C
• Boil Point(°C): 90 °C
• Molecular Weight: 102.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.000
• 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