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2，2-DIMETIL-3-OXOBUTANOATO DI ETILE - ≥95% , CAS No.597-04-6

2，2-DIMETIL-3-OXOBUTANOATO DI ETILE - ≥95% , CAS No.597-04-6

Name: 2，2-DIMETIL-3-OXOBUTANOATO DI ETILE - ≥95% , CAS No.597-04-6
SKU: E694243
Availability: InStock

CAS: 597-04-6 Cat. No.: E694243 Formula: C₈H₁₄O₃ Peso molecolare: 158.19 Numero EC: 209-892-8 PubChem CID: 69002

COA

Vai alla fine della galleria di immagini

2，2-DIMETIL-3-OXOBUTANOATO DI ETILE - ≥95% CAS No(597-04-6) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)C(C)(C)C(=O)C

IUPAC Name

ethyl 2,2-dimethyl-3-oxobutanoate

InChIKey

NVAHZHOCRQCUBY-UHFFFAOYSA-N

INCHI

1S/C8H14O3/c1-5-11-7(10)8(3,4)6(2)9/h5H2,1-4H3

Isomeri SMILES

CCOC(=O)C(C)(C)C(=O)C

PubChem CID

69002

Peso molecolare

158.19

Documentazione

📋 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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	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
Descrizione	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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

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

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	158.190 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	158.094 Da
Monoisotopic Mass	158.094 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170.000
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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