(R)-α-Acryloyloxy-β,β-dimethyl-γ-butyrolactone - ≥95% , CAS No.102096-60-6

CAS: 102096-60-6 Cat. No.: R467027 Peso molecular: 184.19 Número EC: 625-652-9 PubChem CID: 2794997

GRADE & PURITY ≥95%

Synonyms

F53060 | (R)-a-acryloyloxy-b,b-dimethyl-gamma-butyrolactone | SCHEMBL1351991 | [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate | (R)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl acrylate | (R)- alpha -Acryloyloxy- beta , beta -dimethyl- gamma -butyrolactone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

F53060 | (R)-a-acryloyloxy-b, b-dimethyl-gamma-butyrolactone | SCHEMBL1351991 | [(3R)-4, 4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate | (R)-4, 4-Dimethyl-2-oxotetrahydrofuran-3-yl acrylate | (R)- alpha -Acryloyloxy- beta , beta -dimethyl- gamma -butyrolactone

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1(COC(=O)C1OC(=O)C=C)C
• IUPAC Name: [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
• InChIKey: ICMBTQSRUNSRKI-ZETCQYMHSA-N
• INCHI: 1S/C9H12O4/c1-4-6(10)13-7-8(11)12-5-9(7,2)3/h4,7H,1,5H2,2-3H3/t7-/m0/s1
• Isómeros SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=C)C
• WGK Alemania: 3
• PubChem CID: 2794997
• Peso molecular: 184.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Dicarboxylic acids and derivatives Acrylic acid esters Tetrahydrofurans Enoate esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Acrylic acid ester - Gamma butyrolactone - Acrylic acid or derivatives - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• 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

• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Peso molecular: 184.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.074 Da
• Monoisotopic Mass: 184.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 254.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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