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(R)-α-Acryloyloxy-β,β-dimethyl-γ-butyrolactone - 95%, high purity , CAS No.102096-60-6
Basic Description
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 Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
INCHI
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
InChIKey
ICMBTQSRUNSRKI-ZETCQYMHSA-N
Smiles
CC1(COC(=O)C1OC(=O)C=C)C
Isomeric SMILES
CC1(COC(=O)[C@@H]1OC(=O)C=C)C
WGK Germany
3
PubChem CID
2794997
Molecular Weight
184.19
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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