Ethyl 4-methylbenzoate - ≥99% , CAS No.94-08-6

CAS: 94-08-6 Cat. No.: E102804 Formula: C₁₀H₁₂O₂ Peso molecolare: 164.2 Beilstein Registry Number: 1863756 Numero EC: 202-301-4

GRADE & PURITY ≥99%

Synonyms

Ethyl 4-methylbenzoate; Ethyl p-methylbenzoate; Ethyl p-toluate; NSC 24767 | NSC 24767 | DTXSID5048211 | Benzoic acid, 4-methyl-, ethyl ester | AC7906 | ETHYL PARA TOLUATE | MFCD00009117 | p-Toluic acid ethyl ester | Q27294001 | W-100213 | Tox21_303476 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Ethyl 4-methylbenzoate; Ethyl p-methylbenzoate; Ethyl p-toluate; NSC 24767 | NSC 24767 | DTXSID5048211 | Benzoic acid, 4-methyl-, ethyl ester | AC7906 | ETHYL PARA TOLUATE | MFCD00009117 | p-Toluic acid ethyl ester | Q27294001 | W-100213 | Tox21_303476 |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488183841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183841
• Sorrisi canonici: CCOC(=O)C1=CC=C(C=C1)C
• IUPAC Name: ethyl 4-methylbenzoate
• InChIKey: NWPWRAWAUYIELB-UHFFFAOYSA-N
• INCHI: 1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
• Isomeri SMILES: CCOC(=O)C1=CC=C(C=C1)C
• WGK Germania: 3
• Peso molecolare: 164.2
• Beilstein: 1863756
• Reaxy-Rn: 1863756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863756&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: Benzoyl derivatives Toluenes Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Toluene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.508
• Punto di infiammabilità (°F): 210.2 °F
• Punto di infiammabilità (°C): 99 °C
• Punto di ebollizione (°C): 235°C
• Peso molecolare: 164.200 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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 ≥99% 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 94-08-6, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey NWPWRAWAUYIELB-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.