Ethyl (4-Methylphenoxy)acetate - ≥97%(GC) , CAS No.67028-40-4

CAS: 67028-40-4 Cat. No.: E156535 Formula: C₁₁H₁₄O₃ Peso molecolare: 194.23 Numero EC: 266-554-2

GRADE & PURITY ≥97%(GC)

Synonyms

Q27274230 | p-Tolyloxyacetic acid ethyl ester | p-Tolyloxy-acetic acid ethyl ester | B0Y0J494AJ | ETHYL (P-TOLYLOXY)ACETATE [FHFI] | ETHYL2-(P-TOLYLOXY)ACETATE | AB04789 | Ethyl P-tolyloxyacetate | FEMA No. 3157 | STK443755 | Acetic acid, p-tolyloxy-, eth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Q27274230 | p-Tolyloxyacetic acid ethyl ester | p-Tolyloxy-acetic acid ethyl ester | B0Y0J494AJ | ETHYL (P-TOLYLOXY)ACETATE [FHFI] | ETHYL2-(P-TOLYLOXY)ACETATE | AB04789 | Ethyl P-tolyloxyacetate | FEMA No. 3157 | STK443755 | Acetic acid, p-tolyloxy-, eth

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 528753042
• Sorrisi canonici: CCOC(=O)COC1=CC=C(C=C1)C
• IUPAC Name: ethyl 2-(4-methylphenoxy)acetate
• InChIKey: UMNOIMVMNARUSB-UHFFFAOYSA-N
• INCHI: 1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
• Isomeri SMILES: CCOC(=O)COC1=CC=C(C=C1)C
• Peso molecolare: 194.23
• Reaxy-Rn: 2261172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2261172&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Toluene - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.5
• Punto di infiammabilità (°C): 108 °C
• Punto di ebollizione (°C): 152°C/4mmHg(lit.)
• Peso molecolare: 194.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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