2,4-diméthylbenzoate d'éthyle - ≥96% , CAS No.33499-42-2

CAS: 33499-42-2 Cat. No.: E183795 Formule: C₁₁H₁₄O₂ Poids moléculaire: 178.2

GRADE & PURITY ≥96%

Synonyms

FT-0610148 | A821801 | Ethyl 2,4-dimethylbenzoate | DTXSID10187134 | BS-23547 | AM808251 | Benzoic acid, 2,4-dimethyl-, ethyl ester | AKOS008947920 | EINECS 251-544-2 | SY003392 | AC-2942 | MFCD00015438 | 2,4-dimethylbenzoic acid ethyl ester | 2,4-dimethy

Storage

Température ambiante

Shipped In

Normal

Specifications

Synonymes

FT-0610148 | A821801 | Ethyl 2,4-dimethylbenzoate | DTXSID10187134 | BS-23547 | AM808251 | Benzoic acid, 2,4-dimethyl-, ethyl ester | AKOS008947920 | EINECS 251-544-2 | SY003392 | AC-2942 | MFCD00015438 | 2,4-dimethylbenzoic acid ethyl ester | 2,4-dimethy

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 488187578
• Sourires canoniques: CCOC(=O)C1=C(C=C(C=C1)C)C
• IUPAC Name: ethyl 2,4-dimethylbenzoate
• InChIKey: RJYPOWRKMKNFHH-UHFFFAOYSA-N
• INCHI: 1S/C11H14O2/c1-4-13-11(12)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
• Isomères SMILES: CCOC(=O)C1=C(C=C(C=C1)C)C
• Poids moléculaire: 178.2
• Reaxy-Rn: 1938737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1938737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: m-Xylenes Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - M-xylene - Xylene - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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

Propriétés chimiques et physiques

• Solubilité: Not miscible or difficult to mix with water.
• Poids moléculaire: 178.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 33499-42-2, the molecular formula is C11H14O2, and the molecular weight is 178.2 g/mol. InChIKey RJYPOWRKMKNFHH-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.