Mevalonic Lactone Methacrylate (stabilized with MEHQ) - ≥98%(GC) , CAS No.177080-66-9

CAS: 177080-66-9 Cat. No.: M158411 Molecular Weight: 198.22 EC Number: 805-867-6

GRADE & PURITY ≥98%(GC)

Synonyms

4-METHYL-2-OXOOXAN-4-YL 2-METHYLPROP-2-ENOATE | Mevalonic Lactone Methacrylate (stabilized with MEHQ) | M2261 | 2-Propenoic acid, 2-methyl-, tetrahydro-4-methyl-2-oxo-2H-pyran-4-yl ester | 4-Methyl-2-oxotetrahydro-2H-pyran-4-yl Methacrylate | MFCD22581441

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-METHYL-2-OXOOXAN-4-YL 2-METHYLPROP-2-ENOATE | Mevalonic Lactone Methacrylate (stabilized with MEHQ) | M2261 | 2-Propenoic acid, 2-methyl-, tetrahydro-4-methyl-2-oxo-2H-pyran-4-yl ester | 4-Methyl-2-oxotetrahydro-2H-pyran-4-yl Methacrylate | MFCD22581441

Specifications & Purity

≥98%(GC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC(=C)C(=O)OC1(CCOC(=O)C1)C
• IUPAC Name: (4-methyl-2-oxooxan-4-yl) 2-methylprop-2-enoate
• InChIKey: JANRUIBBIKVUHU-UHFFFAOYSA-N
• INCHI: 1S/C10H14O4/c1-7(2)9(12)14-10(3)4-5-13-8(11)6-10/h1,4-6H2,2-3H3
• Isomeric SMILES: CC(=C)C(=O)OC1(CCOC(=O)C1)C
• Molecular Weight: 198.22
• Reaxy-Rn: 11323774
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11323774&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Dicarboxylic acids and derivatives Enoate esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta_valerolactone - Delta valerolactone - Oxane - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• 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: Heat Sensitive
• Refractive Index: 1.47
• Molecular Weight: 198.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.089 Da
• Monoisotopic Mass: 198.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1