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

CAS: 79-20-9 Cat. No.: M103353 Summenformel: C₃H₆O₂ Molekulargewicht: 74.08 Beilstein Registry Number: 1736662 EG-Nummer: 201-185-2

QUALITÄT & REINHEIT 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

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Spezifikationen

Synonyme

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 |

Spezifikationen & Reinheit

Standard for GC, ≥99.9%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Standard for GC

Reinheit

≥99.9%(GC)

Namen und Kennungen

Pubchem Sid

508811925

Kanonisches Lächeln

CC(=O)OC

IUPAC Name

methyl acetate

InChIKey

KXKVLQRXCPHEJC-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC(=O)OC

WGK Deutschland

1

RTECS

AI9100000

UN-Nummer

1231

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.3614
• Flammpunkt (°F): 8.6 °F
• Flammpunkt (°C): -10℃
• Siedepunkt (°C): 56.9°C
• Schmelzpunkt (°C): -98°C
• Molekulargewicht: 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