Methyl 3-methylphenylacetate - ≥98% , CAS No.53088-69-0

CAS: 53088-69-0 Cat. No.: M573276 Fórmula: C₁₀H₁₂O₂ Peso molecular: 164.2

CALIDAD & PUREZA ≥98%

Synonyms

SY083835 | 3-Methylphenylacetic acid methyl ester | AKOS011674533 | m-toly-acetic acid methyl ester | AWTKFTNNPQGGLX-UHFFFAOYSA-N | FT-0751129 | AS-59593 | A829396 | methyl 2-m-tolylacetate | Benzeneacetic acid, 3-methyl-, methyl ester | methyl 3-methylph

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

SY083835 | 3-Methylphenylacetic acid methyl ester | AKOS011674533 | m-toly-acetic acid methyl ester | AWTKFTNNPQGGLX-UHFFFAOYSA-N | FT-0751129 | AS-59593 | A829396 | methyl 2-m-tolylacetate | Benzeneacetic acid, 3-methyl-, methyl ester | methyl 3-methylph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488195105

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195105

Sonrisas canónicas

CC1=CC(=CC=C1)CC(=O)OC

IUPAC Name

methyl 2-(3-methylphenyl)acetate

InChIKey

AWTKFTNNPQGGLX-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-8-4-3-5-9(6-8)7-10(11)12-2/h3-6H,7H2,1-2H3

Isómeros SMILES

CC1=CC(=CC=C1)CC(=O)OC

Peso molecular

164.2

Reaxy-Rn

2083895

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083895&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 117℃
• Peso molecular: 164.200 g/mol
• XLogP3: 2.300
• 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: 154.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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 53088-69-0, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey AWTKFTNNPQGGLX-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.