Ethylacetate - AR, ≥99.5%, used for Extractants are used to extract many compounds (phosphorus, tungsten, arsenic, cobalt) from aqueous solutions; in organic analysis, they are used as solvents during crystallization; as standard substances for thermomete

CAS: 141-78-6 Cat. No.: E116132 Fórmula: C₄H₈O₂ Peso molecular: 88.11 Beilstein Registry Number: 506104 Número EC: 205-500-4

GRADE & PURITY AR, ≥99.5%

Synonyms

Acetic acid ethyl ester | Ethylacetate

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

It has a fruity aroma, is volatile, sensitive to air, and absorbs moisture, which slowly decomposes it into an acidic reaction. It is miscible with chloroform, alcohols, acetone, and ether, and soluble in water (10% ml/ml). It can dissolve certain metal salts (such as lithium chloride, cobalt chloride, zinc chloride, and ferric chloride). It is flammable. Its vapor can form explosive mixtures with air. The median lethal dose (LD50) (rat, oral) is 11.4 ml/kg. It is irritating.

Specifications

Sinónimos

Acetic acid ethyl ester | Ethylacetate

Especificaciones y pureza

AR, ≥99.5%

Aplicación

Extractants are used to extract many compounds (phosphorus, tungsten, arsenic, cobalt) from aqueous solutions; in organic analysis, they are used as solvents during crystallization; as standard substances for thermometer calibration during sugar separatio

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

AR

Pureza

≥99.5%

Nombres e identificadores

Pubchem Sid

528769462

Sonrisas canónicas

CCOC(=O)C

IUPAC Name

ethyl acetate

InChIKey

XEKOWRVHYACXOJ-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

Isómeros SMILES

CCOC(=O)C

WGK Alemania

1

RTECS

AH5425000

Número ONU

1173

Grupo de embalaje

II

Peso molecular

88.11

Beilstein

506104

Reaxy-Rn

506104

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506104&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Objetivos asociados (humanos)

TYR Tclin Tyrosinase (717 Activities)

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CTSB Tchem Cathepsin B (3822 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HL-60 (67320 Activities)

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KG-1 (867 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

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CTSL Cathepsin L (58 Activities)

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Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Bacillus cereus (7522 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.3720
• Punto de inflamación (°C): -3°C
• Punto de ebullición (°C): 76.5-77.5 °C
• Punto de fusión (°C): -84 °C
• Peso molecular: 88.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.500
• 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