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Ethyl 2-Ethyl-2-methylacetoacetate - >93.0%(GC), high purity , CAS No.33697-53-9

COA

Grade & Purity:

≥93%(GC)

Cas Number: 33697-53-9
Molecular Weight: 172.22
Beilstein Registry Number: 3(4)1609
MDL number: MFCD00191433
PubChem CID: 582452

In stock

Item Number

E156202

Grouped product items
SKU	Size	Availability	Price	Qty
E156202-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
E156202-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	NWMTWESXONQJPU-UHFFFAOYSA- \| 2-Ethyl-2-methylacetoacetic Acid Ethyl Ester \| E0437 \| FT-0693306 \| InChI=1/C9H16O3/c1-5-9(4,7(3)10)8(11)12-6-2/h5-6H2,1-4H3 \| DTXSID30342501 \| Ethyl 2-ethyl-2-methyl-3-oxobutanoate # \| D90516 \| Ethyl 2-ethyl-2-methyl-3-oxobut
Specifications & Purity	≥93%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Beta-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Beta-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta-keto acids and derivatives
Alternative Parents	Fatty acid esters Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Beta-keto acid - Fatty acyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	ethyl 2-ethyl-2-methyl-3-oxobutanoate
INCHI	InChI=1S/C9H16O3/c1-5-9(4,7(3)10)8(11)12-6-2/h5-6H2,1-4H3
InChIKey	NWMTWESXONQJPU-UHFFFAOYSA-N
Smiles	CCC(C)(C(=O)C)C(=O)OCC
Isomeric SMILES	CCC(C)(C(=O)C)C(=O)OCC
Molecular Weight	172.22
Beilstein	3(4)1609
Reaxy-Rn	1761632
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761632&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.43
Flash Point(°C)	74 °C
Boil Point(°C)	199°C(lit.)
Molecular Weight	172.220 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	172.11 Da
Monoisotopic Mass	172.11 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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