Methyl acetate - HPLC grade, ≥99.5%(GC) , CAS No.79-20-9

CAS: 79-20-9 Cat. No.: M103358 Formule: C₃H₆O₂ Poids moléculaire: 74.08 Beilstein Registry Number: 1736662 Numéro CE: 201-185-2

GRADE & PURITY HPLC grade, ≥99.5%(GC)

Synonyms

Acetic acid methyl ester

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

Application：

Methyl acetate is used as a solvent in glues, paints and nail polish removers. It is also used in adhesives, sealants and coatings. Further, it finds use as solvent in chemical reactions as well as used for extraction purpose. It is involved in the production of acetic anhydride by carbonylation reaction.

Specifications

Synonymes

Acetic acid methyl ester

Spécifications et pureté

HPLC grade, ≥99.5%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

HPLC grade

Pureté

≥99.5%(GC)

Noms et identifiants

• Pubchem Sid: 488180103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180103
• Sourires canoniques: CC(=O)OC
• IUPAC Name: methyl acetate
• InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
• INCHI: 1S/C3H6O2/c1-3(4)5-2/h1-2H3
• Isomères SMILES: CC(=O)OC
• WGK Allemagne: 1
• RTECS: AI9100000
• Numéro ONU: 1231
• Groupe d'emballage: II
• Poids moléculaire: 74.08
• Beilstein: 1736662
• Reaxy-Rn: 1736662
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• External Descriptors: a small molecule

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

Cibles associées (humaines)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with water.
• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.3614
• Point d'éclair (°F): 8.6 °F
• Point d'éclair (°C): -10℃
• Point d'ébullition (°C): 56.9°C
• Point de fusion (°C): -98°C
• Poids moléculaire: 74.080 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 40.200
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99.5% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What does HPLC grade mean?

HPLC grade indicates that the chemical has been purified and tested specifically for use in high-performance liquid chromatography. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. HPLC grade is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79-20-9, the molecular formula is C3H6O2, and the molecular weight is 74.08 g/mol. InChIKey KXKVLQRXCPHEJC-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.