Ethyl Benzilate - ≥97% , CAS No.52182-15-7

CAS: 52182-15-7 Cat. No.: E156560 Formula: C₁₆H₁₆O₃ Peso molecolare: 256.3 Beilstein Registry Number: 10(4)1258 Numero EC: 257-713-7

GRADE & PURITY ≥97%

Synonyms

DTXSID10200211 | ethylbenzilate | NSC62707 | NSC-62707 | Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester | Benzilic acid, ethyl ester | ethyl 2-hydroxy-2,2-diphenylacetate | Ethyl diphenylglycolate | Benzilic Acid Ethyl Ester | Ethyl benz

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID10200211 | ethylbenzilate | NSC62707 | NSC-62707 | Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester | Benzilic acid, ethyl ester | ethyl 2-hydroxy-2,2-diphenylacetate | Ethyl diphenylglycolate | Benzilic Acid Ethyl Ester | Ethyl benz

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488186983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186983
• Sorrisi canonici: CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
• IUPAC Name: ethyl 2-hydroxy-2,2-diphenylacetate
• InChIKey: AIPVNQQMYPWQSX-UHFFFAOYSA-N
• INCHI: 1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3
• Isomeri SMILES: CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
• Peso molecolare: 256.3
• Beilstein: 10(4)1258
• Reaxy-Rn: 991958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=991958&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Tertiary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Tertiary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.56
• Punto di ebollizione (°C): 190°C/15mmHg(lit.)
• Punto di fusione (°C): 34°C(lit.)
• Peso molecolare: 256.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.11 Da
• Monoisotopic Mass: 256.11 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 270.000
• 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

Domande frequenti

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 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 52182-15-7, the molecular formula is C16H16O3, and the molecular weight is 256.3 g/mol. InChIKey AIPVNQQMYPWQSX-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.