Methyl acetate - Standard for GC, ≥99.9%(GC) , CAS No.79-20-9

CAS: 79-20-9 Cat. No.: M103353 Formula: C₃H₆O₂ Peso molecolare: 74.08 Beilstein Registry Number: 1736662 Numero EC: 201-185-2

QUALITÀ & PUREZZA Standard for GC, ≥99.9%(GC)

Synonyms

METHYL ACETATE|79-20-9|Methyl ethanoate|Tereton|Acetic acid, methyl ester|Devoton|Acetic acid methyl ester|Methylacetat|Acetate de methyle|Methylacetaat|Methyl acetic ester|Octan metylu|Metile (acetato di)|Methyle (acetate de)|Methylester kiseliny octove|

Storage

Room temperature

Shipped In

FedEx DG Service

Specifiche

Sinonimi

METHYL ACETATE | 79-20-9 | Methyl ethanoate | Tereton | Acetic acid, methyl ester | Devoton | Acetic acid methyl ester | Methylacetat | Acetate de methyle | Methylacetaat | Methyl acetic ester | Octan metylu | Metile (acetato di) | Methyle (acetate de) | Methylester kiseliny octove |

Specifiche e purezza

Standard for GC, ≥99.9%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Standard for GC

Purezza

≥99.9%(GC)

Nomi e identificatori

Pubchem Sid

508811925

Sorrisi canonici

CC(=O)OC

IUPAC Name

methyl acetate

InChIKey

KXKVLQRXCPHEJC-UHFFFAOYSA-N

INCHI

1S/C3H6O2/c1-3(4)5-2/h1-2H3

Isomeri SMILES

CC(=O)OC

WGK Germania

1

RTECS

AI9100000

Numero UN

1231

Gruppo di imballaggio

II

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.3614
• Punto di infiammabilità (°F): 8.6 °F
• Punto di infiammabilità (°C): -10℃
• Punto di ebollizione (°C): 56.9°C
• Punto di fusione (°C): -98°C
• Peso molecolare: 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