Ethylacetate - HPLC grade, ≥99.9% , CAS No.141-78-6

CAS: 141-78-6 Cat. No.: E116136 Formule: C₄H₈O₂ Poids moléculaire: 88.11 Beilstein Registry Number: 506104 Numéro CE: 205-500-4

QUALITÉ & PURETÉ HPLC grade, ≥99.9%

Synonyms

Acetic acid ethyl ester | RCRA waste no. U112 | Acetidin | Vinegar naphtha | Acetic acid, ethyl ester | Essigester | Ethylacetate | EtOAc | AcOEt | 1-acetoxyethane | Acetic ether | Acetoxyethane | Ethylacetat | Aethylacetat | Acetic ester | Ethyl ethanoat

Storage

Room temperature

Shipped In

FedEx DG Service

Spécifications

Synonymes

Acetic acid ethyl ester | RCRA waste no. U112 | Acetidin | Vinegar naphtha | Acetic acid, ethyl ester | Essigester | Ethylacetate | EtOAc | AcOEt | 1-acetoxyethane | Acetic ether | Acetoxyethane | Ethylacetat | Aethylacetat | Acetic ester | Ethyl ethanoat

Spécifications et pureté

HPLC grade, ≥99.9%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

HPLC grade

Pureté

≥99.9%

Noms et identifiants

Pubchem Sid

488180894

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180894

Sourires canoniques

CCOC(=O)C

IUPAC Name

ethyl acetate

InChIKey

XEKOWRVHYACXOJ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CCOC(=O)C

WGK Allemagne

1

RTECS

AH5425000

Numéro ONU

1173

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.3720
• Point d'éclair (°C): -3°C
• Point d'ébullition (°C): 76.5-77.5 °C
• Point de fusion (°C): -84 °C
• Poids moléculaire: 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