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

CAS: 102096-60-6 Cat. No.: R467027 Molecular Weight: 184.19 EC Number: 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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=C)C
• WGK Germany: 3
• PubChem CID: 2794997
• Molecular Weight: 184.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Molecular Weight: 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