Methyl 2-methylbenzoate - ≥98% , CAS No.89-71-4

CAS: 89-71-4 Cat. No.: M113453 Fórmula: C₉H₁₀O₂ Peso molecular: 150.17 Beilstein Registry Number: 9(3)2301 Número EC: 201-932-2

GRADE & PURITY ≥98%

Synonyms

2-TOLUIC ACID METHYL ESTER | Methyl toluate | W-100362 | methyl-o-toluate | D70904 | DTXCID8028183 | o-Toluic Acid Methyl Ester | A843290 | Methyl 2-methylbenzoate, 99% | METHYL 2-TOLUATE | Q27283847 | o-Toluylic acid, methyl ester | 2-Methylbenzoic Acid

Storage

Room temperature

Shipped In

Normal

Descripción general

It has been used in the preparation of 2-(azidomethyl)benzoic acid.

Specifications

Sinónimos

2-TOLUIC ACID METHYL ESTER | Methyl toluate | W-100362 | methyl-o-toluate | D70904 | DTXCID8028183 | o-Toluic Acid Methyl Ester | A843290 | Methyl 2-methylbenzoate, 99% | METHYL 2-TOLUATE | Q27283847 | o-Toluylic acid, methyl ester | 2-Methylbenzoic Acid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488183208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183208

Sonrisas canónicas

CC1=CC=CC=C1C(=O)OC

IUPAC Name

methyl 2-methylbenzoate

InChIKey

WVWZECQNFWFVFW-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3

Isómeros SMILES

CC1=CC=CC=C1C(=O)OC

WGK Alemania

3

Peso molecular

150.17

Beilstein

9(3)2301

Reaxy-Rn

2041846

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041846&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Índice de refracción: 1.518-1.52
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82℃
• Punto de ebullición (°C): 213 °C
• Peso molecular: 150.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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 89-71-4, the molecular formula is C9H10O2, and the molecular weight is 150.17 g/mol. InChIKey WVWZECQNFWFVFW-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.