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2-Ethoxyethyl Isobutyrate - >98.0%(GC), high purity , CAS No.54396-97-3
Basic Description
Synonyms
I0282 | ANSOCBLHUNAGRK-UHFFFAOYSA-N | EINECS 259-146-0 | AI3-21633 | DTXSID9068952 | ISOBUTYRICACID2-ETHOXYETHYLESTER | Isobutyric acid,2-ethoxyethyl ester | ANSOCBLHUNAGRK-UHFFFAOYSA- | 2-Ethoxyethyl 2-methylpropanoate # | 2-Ethoxyethyl isobutyrate, >=99
Specifications & Purity
≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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.
Names and Identifiers
IUPAC Name
2-ethoxyethyl 2-methylpropanoate
INCHI
InChI=1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey
ANSOCBLHUNAGRK-UHFFFAOYSA-N
Smiles
CCOCCOC(=O)C(C)C
Isomeric SMILES
CCOCCOC(=O)C(C)C
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Flash Point(°F)
57°C(lit.)
Flash Point(°C)
57°C(lit.)
Boil Point(°C)
85°C/7mmHg(lit.)
Molecular Weight
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
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L2304178