Acrylic Acid (5-Ethyl-1,3-dioxan-5-yl)methyl Ester (stabilized with MEHQ) - ≥98% , CAS No.66492-51-1

CAS: 66492-51-1 Cat. No.: A304322 Peso molecular: 200.23 Número EC: 266-380-7

GRADE & PURITY ≥98%

Synonyms

SCHEMBL275851 | EINECS 266-380-7 | E83802 | (5-Ethyl-1,3-dioxan-5-yl)methyl Acrylate (stabilized with MEHQ) | BS-44179 | 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester | (5-Ethyl-1,3-dioxan-5-yl)methyl acrylate | (5-ethyl-1,3-dioxan-5-yl)methyl p

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL275851 | EINECS 266-380-7 | E83802 | (5-Ethyl-1, 3-dioxan-5-yl)methyl Acrylate (stabilized with MEHQ) | BS-44179 | 2-Propenoic acid, (5-ethyl-1, 3-dioxan-5-yl)methyl ester | (5-Ethyl-1, 3-dioxan-5-yl)methyl acrylate | (5-ethyl-1, 3-dioxan-5-yl)methyl p

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188472
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188472
• Sonrisas canónicas: CCC1(COCOC1)COC(=O)C=C
• IUPAC Name: (5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
• InChIKey: STGXUBIZGYMIRM-UHFFFAOYSA-N
• INCHI: 1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3
• Isómeros SMILES: CCC1(COCOC1)COC(=O)C=C
• Peso molecular: 200.23
• Reaxy-Rn: 7917837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7917837&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxanes
• Subclass: 1,3-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxanes
• Alternative Parents: Acrylic acid esters Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxane - Acrylic acid ester - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.46
• Punto de inflamación (°C): 109 °C
• Punto de ebullición (°C): 78°C/0.3mmHg(lit.)
• Peso molecular: 200.230 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 200.105 Da
• Monoisotopic Mass: 200.105 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 206.000
• 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