Methyl 4-ethylbenzoate - ≥95% , CAS No.7364-20-7

CAS: 7364-20-7 Cat. No.: M338948 Summenformel: C₁₀H₁₂O₂ Molekulargewicht: 164.2

GRADE & PURITY ≥95%

Synonyms

Methyl 4-ethylbenzoate # | SY081594 | Benzoic acid, 4-ethyl-, methyl ester | Benzoic acid, 4-ethyl-,methyl ester | EN300-134744 | METHYL P-ETHYLBENZOATE | SCHEMBL131711 | PS-5941 | METHYL-4-ETHYLBENZOATE | MFCD00221477 | 4-ethylbenzoic acid methyl ester |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Methyl 4-ethylbenzoate # | SY081594 | Benzoic acid, 4-ethyl-, methyl ester | Benzoic acid, 4-ethyl-,methyl ester | EN300-134744 | METHYL P-ETHYLBENZOATE | SCHEMBL131711 | PS-5941 | METHYL-4-ETHYLBENZOATE | MFCD00221477 | 4-ethylbenzoic acid methyl ester |

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528759953

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759953

Kanonisches Lächeln

CCC1=CC=C(C=C1)C(=O)OC

IUPAC Name

methyl 4-ethylbenzoate

InChIKey

CAABRJFUDNBRJZ-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3

Isomere SMILES

CCC1=CC=C(C=C1)C(=O)OC

Molekulargewicht

164.2

Reaxy-Rn

1863772

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863772&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n25D1.51
• Siedepunkt (°C): 105-107° C at 15 mmHg
• Schmelzpunkt (°C): 16.86° C (Predicted)
• Molekulargewicht: 164.200 g/mol
• XLogP3: 3.100
• 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