Methyl acetoacetate(MAA) - ≥99% , CAS No.105-45-3

CAS: 105-45-3 Cat. No.: M108598 Formula: C5H8O3 Peso molecolare: 116.12 Beilstein Registry Number: 506727 Numero EC: 203-299-8
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
CAS-105-45-3 | s3091 | Tox21_200162 | 3-Oxobutyric Acid Methyl Ester | 3-oxo-butyric acid methyl ester | AKOS000118978 | BDBM50502126 | METHYL ACETOACETATE [MI] | InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H | Acetoacetate methyl ester | DTXCID706716 | HSDB
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Germania (EU)
USA*
Price
Qty
100g
M108598-100g
—
1 Disponibile
8,59€
500g
M108598-500g
—
9 Disponibile
19,87€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Methyl acetoacetate (MAA) can be used as a reactant for:
Transesterification with alcohols by using various catalysts.
The synthesis of 4-methylcoumarins with phenol in presence of zinc and I2 as catalysts.
Asymmetric heterogeneous hydrogenation reactions by transition metal catalysts.

Specifications

Sinonimi
CAS-105-45-3 | s3091 | Tox21_200162 | 3-Oxobutyric Acid Methyl Ester | 3-oxo-butyric acid methyl ester | AKOS000118978 | BDBM50502126 | METHYL ACETOACETATE [MI] | InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H | Acetoacetate methyl ester | DTXCID706716 | HSDB
Specifiche e purezza
≥99%
Condizioni di conservazione di stoccaggio
Store at 2-8°C
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥99%
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508811866
Sorrisi canonici
CC(=O)CC(=O)OC
IUPAC Name
methyl 3-oxobutanoate
InChIKey
WRQNANDWMGAFTP-UHFFFAOYSA-N
INCHI
1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
Isomeri SMILES
CC(=O)CC(=O)OC
WGK Germania
1
RTECS
AK5775000
Numero UN
1993
Gruppo di imballaggio
I
Peso molecolare
116.12
Beilstein
506727
Reaxy-Rn
506727
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506727&ln=

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClasseKeto acids and derivatives
SubclassBeta-keto acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBeta-keto acids and derivatives
Alternative Parents Fatty acid methyl esters  1,3-dicarbonyl compounds  Methyl esters  Ketones  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDataOggetto
F2625010Certificate of AnalysisDec 09, 2025 M108598
L2523195Certificate of AnalysisDec 09, 2025 M108598
L2523211Certificate of AnalysisDec 09, 2025 M108598
L2523682Certificate of AnalysisDec 09, 2025 M108598
A2211490Certificate of AnalysisSep 26, 2025 M108598
A2211539Certificate of AnalysisSep 26, 2025 M108598
D2508058Certificate of AnalysisApr 18, 2025 M108598
G2108224Certificate of AnalysisApr 08, 2025 M108598
G2108225Certificate of AnalysisApr 08, 2025 M108598
Proprietà chimiche e fisiche
SolubilitàEasily soluble in water.
SensibilitàMoisture & light sensitive.
Indice di rifrazione1.418
Punto di infiammabilità (°F)158 °F
Punto di infiammabilità (°C)67℃
Punto di ebollizione (°C)169-170°C
Punto di fusione (°C)-80°C
Peso molecolare116.110 g/mol
XLogP30.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass116.047 Da
Monoisotopic Mass116.047 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count8
Formal Charge0
Complexity106.000
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
Domande frequenti e articoli
Citations of This Product
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.