2-Ethyl-2-methacryloyloxyadamantane - ≥97%, Contains a stabilizer , CAS No.209982-56-9

CAS: 209982-56-9 Cat. No.: E156351 Formula: C₁₆H₂₄O₂ Molecular Weight: 248.37 EC Number: 805-827-8

GRADE & PURITY ≥97%, Contains a stabilizer

Synonyms

AKOS015918096 | SCHEMBL23254207 | (2-ethyl-2-adamantyl) 2-methylprop-2-enoate | DCTVCFJTKSQXED-UHFFFAOYSA-N | AMY11176 | (1R,3R,5R,7R)-2-ETHYLADAMANTAN-2-YL 2-METHYLPROP-2-ENOATE | 2-ETHYL-2-ADAMANTYL METHACRYLATE | FT-0717669 | DTXSID60943303 | 2-Ethacry

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS015918096 | SCHEMBL23254207 | (2-ethyl-2-adamantyl) 2-methylprop-2-enoate | DCTVCFJTKSQXED-UHFFFAOYSA-N | AMY11176 | (1R,3R,5R,7R)-2-ETHYLADAMANTAN-2-YL 2-METHYLPROP-2-ENOATE | 2-ETHYL-2-ADAMANTYL METHACRYLATE | FT-0717669 | DTXSID60943303 | 2-Ethacry

Specifications & Purity

≥97%, Contains a stabilizer

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

≥97%

Names and Identifiers

Pubchem Sid

504764887

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764887

Canonical Smiles

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(=C)C

IUPAC Name

(2-ethyl-2-adamantyl) 2-methylprop-2-enoate

InChIKey

DCTVCFJTKSQXED-UHFFFAOYSA-N

INCHI

1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3

Isomeric SMILES

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(=C)C

Molecular Weight

248.37

Reaxy-Rn

10680648

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10680648&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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

• Solubility: Soluble in Methanol
• Sensitivity: Heat Sensitive
• Melt Point(°C): 40 °C
• Molecular Weight: 248.360 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 248.178 Da
• Monoisotopic Mass: 248.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 355.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 209982-56-9, the molecular formula is C16H24O2, and the molecular weight is 248.37 g/mol. InChIKey DCTVCFJTKSQXED-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.