Ethyl acetoacetate - 10mM in DMSO , CAS No.141-97-9

CAS: 141-97-9 Cat. No.: E421552 Molecular Weight: 130.14 Beilstein Registry Number: 385838 EC Number: 205-516-1
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GRADE & PURITY 10mM in DMSO
Synonyms
Ethyl acetoacetate, puriss. p.a., >=99.0% (GC) | FEMA No. 2415 | MFCD00009199 | NSC 8657 | WLN: 2OV1V1 | Q47192 | STL163546 | Acetoctan ethylnaty [Czech] | active acetyl acetate | BBL012204 | 3-Oxo-butyric acid ethyl ester | A0649 | bmse000944 | ETHYL ACE
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
E421552-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 42 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Ethyl acetoacetate, puriss. p.a., >=99.0% (GC) | FEMA No. 2415 | MFCD00009199 | NSC 8657 | WLN: 2OV1V1 | Q47192 | STL163546 | Acetoctan ethylnaty [Czech] | active acetyl acetate | BBL012204 | 3-Oxo-butyric acid ethyl ester | A0649 | bmse000944 | ETHYL ACE
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCCOC(=O)CC(=O)C
IUPAC Nameethyl 3-oxobutanoate
InChIKeyXYIBRDXRRQCHLP-UHFFFAOYSA-N
INCHI1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Isomeric SMILES CCOC(=O)CC(=O)C
WGK Germany 1
RTECS AK5250000
UN Number 1993
Packing Group I
Molecular Weight 130.14
Beilstein 385838
Reaxy-Rn 385838
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385838&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassKeto acids and derivatives
SubclassBeta-keto acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBeta-keto acids and derivatives
Alternative Parents Fatty acid esters  1,3-dicarbonyl compounds  Ketones  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - 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
DescriptionThis 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 a small molecule
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityMoisture sensitive.
Refractive Index1.42
Flash Point(°F)163.4 °F
Flash Point(°C)85℃
Boil Point(°C)180°C
Melt Point(°C)-45°C
Molecular Weight130.139 g/mol
XLogP30.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.063 Da
Monoisotopic Mass130.063 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count9
Formal Charge0
Complexity117.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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