2-Ethoxyethyl acetate - Standard for GC, ≥99.5%(GC) , CAS No.111-15-9

CAS: 111-15-9 Cat. No.: E105181 Formule: C₆H₁₂O₃ Poids moléculaire: 132.16 Beilstein Registry Number: 1748677 Numéro CE: 203-839-2

QUALITÉ & PURETÉ Standard for GC, ≥99.5%(GC)

Synonyms

2-Ethoxyethylester kyseliny octove [Czech]|Acetate de cellosolve [French]|Ethyl cellosolve acetaat [Dutch]|Ektasolve EE acetate solvent|2-Ethoxy-ethylacetaat|2-Ethoxyethyle, acetate de|2-Etossietil-acetato|Ethylene glycol monoethyl ether monoacetate|EGEEA|2-Ethoxyethyl acetate|2-Aethoxy-aethylacetat|2-Etossietil-acetato [Italian]|2-Ethoxyethyle, acetate de [French]|Ethanol, 2-ethoxy-, 1-acetate|Acetate d'ethylglycol [French]|2-Ethoxyethanol, ester with acetic acid|Ethoxyethyl acetate|Ethylene glycol ethyl ether acetate|2-ETHOXYETHYL ACETAE|ETHOXYETHANOL ACETATE [INCI]|Ethyl cellosolve acetate|Celosolvacetat [Czech]|ethylene glycol monobuty ether aceate|Ethyl glycol acetate|Acetate d'ethylglycol|2-Ethoxyethylacetate|2-Ethoxy-ethylacetaat [Dutch]|Acetic acid-2-ethoxyethyl ester|Ethyleneglycol monoethyl ether acetate|Cellosolve acetate|cellosolve'' Acetate|Ethylglycol acetate|2-Ethoxyethylester kyseliny octove|Glycol ether ee acetate|.beta.-Ethoxyethyl acetate|Acetic Acid 2-Ethoxyethyl Ester|acetic acid 2-ethoxy-ethyl ester|Aethylenglykolaetheracetat|Ethoxyethanol, 2-, acetate|2-Aethoxy-aethylacetat [German]|Acetate de l'ether monoethylique de l'ethylene-glycol [French]|Acetic acid, 2-ethoxyethyl ester|Acetate de cellosolve|Octan etoksyetylu|Ethanol, 2-ethoxy-, acetate|AI3-01955 (USDA)|Ethoxyethanol acetate|Glycol monoethyl ether acetate|ETHYLENE GLYCOL MONOETHYL ETHER ACETATE [HSDB]|Oxytol acetate|CSAC|Ethylglykolacetat [German]|Aethylenglykolaetheracetat [German]|ETHYLENE GLYCOL MONOETHYL ETHER ACETATE|Octan etoksyetylu [Polish]|2-Ethoxyethanol 1-acetate|Ethylene glycol monoethyl ether acetate [UN1172] [Flammable liquid]|Ethylglykolacetat|Oxitol acetate|Celosolvacetat|Ethyl cellosolve acetaat|2-Ethoxyethanol acetate|2-Ethoxyethyl ester of acetic acid

Storage

Room temperature

Shipped In

FedEx DG Service

Spécifications

Synonymes

2-Ethoxyethylester kyseliny octove [Czech] | Acetate de cellosolve [French] | Ethyl cellosolve acetaat [Dutch] | Ektasolve EE acetate solvent | 2-Ethoxy-ethylacetaat | 2-Ethoxyethyle, acetate de | 2-Etossietil-acetato | Ethylene glycol monoethyl ether monoacetate | EGEEA | 2-Ethoxyethyl acetate | 2-Aethoxy-aethylacetat | 2-Etossietil-acet Afficher plus

Spécifications et pureté

Standard for GC, ≥99.5%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Standard for GC

Pureté

≥99.5%(GC)

Noms et identifiants

Pubchem Sid

508808024

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808024

Sourires canoniques

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

Isomères SMILES

CCOCCOC(=O)C

WGK Allemagne

2

RTECS

KK8225000

Numéro ONU

1172

Groupe d'emballage

III

Poids moléculaire

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
• 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: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water, miscible in most organic solvents such as aromatics.
• Indice de réfraction: 1.406
• Point d'éclair (°F): 126°F
• Point d'éclair (°C): 51℃
• Point d'ébullition (°C): 156°C
• Point de fusion (°C): -61°C
• Poids moléculaire: 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