Methyl 3,3-Dimethylacrylate - ≥98% , CAS No.924-50-5

CAS: 924-50-5 Cat. No.: M102001 Summenformel: C₆H₁₀O₂ Molekulargewicht: 114.14 Beilstein Registry Number: 1741592 EG-Nummer: 213-107-4

GRADE & PURITY ≥98%

Synonyms

EINECS 213-107-4 | M2052 | Methyl 3-methylbut-2-enoate # | methyl-3,3-dimethyl acrylate | SCHEMBL273328 | BCP10333 | Methyl 3,3-dimethacrylate | METHYL-3,3-DIMETHYLACRYLATE | EC 213-107-4 | Methyl 3-methylcrotonate | F11280 | InChI=1/C6H10O2/c1-5(2)4-6(7)

Storage

Room temperature

Shipped In

Normal

Übersicht

Methyl 3-methyl-2-butenoate is an α,β-unsaturated ester. It is reported as overripe fruity, ethereal odorant, responsible for the aroma of snake fruit. Rate coefficients for the reaction between the NO3 radical and methyl 3-methyl-2-butenoate has been evaluated.

Specifications

Synonyme

EINECS 213-107-4 | M2052 | Methyl 3-methylbut-2-enoate # | methyl-3,3-dimethyl acrylate | SCHEMBL273328 | BCP10333 | Methyl 3,3-dimethacrylate | METHYL-3,3-DIMETHYLACRYLATE | EC 213-107-4 | Methyl 3-methylcrotonate | F11280 | InChI=1/C6H10O2/c1-5(2)4-6(7)

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181863

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181863

Kanonisches Lächeln

CC(=CC(=O)OC)C

IUPAC Name

methyl 3-methylbut-2-enoate

InChIKey

FZIBCCGGICGWBP-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3

Isomere SMILES

CC(=CC(=O)OC)C

WGK Deutschland

1

UN-Nummer

3272

Molekulargewicht

114.14

Beilstein

1741592

Reaxy-Rn

1098538

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098538&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform. Insoluble in water
• Empfindlichkeit: Light sensitive
• Brechungsindex: 1.4364
• Flammpunkt (°F): 98.6 °F
• Flammpunkt (°C): 37 °C
• Siedepunkt (°C): 70-75°C
• Schmelzpunkt (°C): -41°C
• Molekulargewicht: 114.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 110.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 924-50-5, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey FZIBCCGGICGWBP-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.