2-Ethoxyethyl Isobutyrate - ≥98%(GC) , CAS No.54396-97-3

CAS: 54396-97-3 Cat. No.: E156218 Formula: C₈H₁₆O₃ Peso molecolare: 160.21 Beilstein Registry Number: 2(3)651 Numero EC: 259-146-0

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

ISOBUTYRICACID2-ETHOXYETHYLESTER|Isobutyric acid,2-ethoxyethyl ester|2-Ethoxyethyl 2-methylpropanoate #|Isobutyric Acid 2-Ethoxyethyl Ester|2-Ethoxyethyl 2-methylpropanoate|Cellosolve Isobutyrate|Ethylene Glycol Monoethyl Ether Isobutyrate|Propanoic acid, 2-methyl-, 2-ethoxyethyl ester|2-Ethoxyethyl isobutyrate

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

ISOBUTYRICACID2-ETHOXYETHYLESTER | Isobutyric acid,2-ethoxyethyl ester | 2-Ethoxyethyl 2-methylpropanoate # | Isobutyric Acid 2-Ethoxyethyl Ester | 2-Ethoxyethyl 2-methylpropanoate | Cellosolve Isobutyrate | Ethylene Glycol Monoethyl Ether Isobutyrate | Propanoic acid, 2-methyl-, 2-ethoxyethyl ester | 2-Ethoxyethyl isobutyrate

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

508813404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813404

Sorrisi canonici

CCOCCOC(=O)C(C)C

IUPAC Name

2-ethoxyethyl 2-methylpropanoate

InChIKey

ANSOCBLHUNAGRK-UHFFFAOYSA-N

INCHI

1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3

Isomeri SMILES

CCOCCOC(=O)C(C)C

Peso molecolare

160.21

Beilstein

2(3)651

Reaxy-Rn

1756791

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756791&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di infiammabilità (°C): 57°C(lit.)
• Punto di ebollizione (°C): 85°C/7mmHg(lit.)
• Peso molecolare: 160.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 110.000
• 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