2-Ethoxyethyl acetate - ≥99% , CAS No.111-15-9

CAS: 111-15-9 Cat. No.: E105184 Fórmula: C₆H₁₂O₃ Peso molecular: 132.16 Beilstein Registry Number: 1748677 Número CE: 203-839-2

GRAU & PUREZA ≥99%

Synonyms

Ethyl glycol acetate|Cellosolve acetate|Acetic Acid 2-Ethoxyethyl Ester|ETHYLENE GLYCOL MONOETHYL ETHER ACETATE

Storage

Room temperature

Shipped In

FedEx DG Service

Especificações

Sinónimos

Ethyl glycol acetate | Cellosolve acetate | Acetic Acid 2-Ethoxyethyl Ester | ETHYLENE GLYCOL MONOETHYL ETHER ACETATE

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥99%

Product Line

E105184-100ml

Nomes e identificadores

Pubchem Sid

504751575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751575

Sorrisos canónicos

CCOCCOC(=O)C

IUPAC Name

2-ethoxyethyl acetate

InChIKey

SVONRAPFKPVNKG-UHFFFAOYSA-N

INCHI

1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3

SMILES isoméricas

CCOCCOC(=O)C

WGK Alemanha

2

RTECS

KK8225000

Número UN

1172

Grupo de embalagem

III

Peso molecular

132.16

Beilstein

1748677

Reaxy-Rn

1748677

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748677&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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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: Not available

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

Alvos associados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, acetone, ether, alcohol
• Índice de refração: 1.406
• Ponto de inflamação (°F): 126°F
• Ponto de inflamação (°C): 51℃
• Ponto de ebulição (°C): 156°C
• Ponto de fusão (°C): -61°C
• Peso molecular: 132.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.400
• 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