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Methyl 3-Benzoylpropionate - >98.0%(GC), high purity , CAS No.25333-24-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 25333-24-8
Molecular Weight: 192.21
Beilstein Registry Number: 10(1)331
MDL number: MFCD00014906
PubChem CID: 141190
PubChem SID: 488188109

In stock

Item Number

M158344

Grouped product items
SKU	Size	Availability	Price
M158344-1g	1g	3	$12.90
M158344-5g	5g	2	$49.90
M158344-25g	25g	2	$190.90
M158344-100g	100g	2	$684.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	3-Benzoylpropionic Acid Methyl Ester \| Benzenebutanoic acid, gamma-oxo-, methyl ester \| Diethylamine, 98% \| AKOS008909633 \| InChI=1/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 \| B1546 \| AM10004 \| Methyl 4-oxo-4-phenylbutanoate \| EN300-124
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid methyl esters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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

Pubchem Sid	488188109
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188109
IUPAC Name	methyl 4-oxo-4-phenylbutanoate
INCHI	InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey	XVRCVKWYKYJEIG-UHFFFAOYSA-N
Smiles	COC(=O)CCC(=O)C1=CC=CC=C1
Isomeric SMILES	COC(=O)CCC(=O)C1=CC=CC=C1
Molecular Weight	192.21
Beilstein	10(1)331
Reaxy-Rn	2211627
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211627&ln=

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

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.

3 results found

Lot Number	Certificate Type	Date	Item
H2401439	Certificate of Analysis	Jun 18, 2024	M158344
H2401438	Certificate of Analysis	Jun 18, 2024	M158344
E2006132	Certificate of Analysis	Feb 22, 2024	M158344

Chemical and Physical Properties

Solubility	Soluble in Chloroform.
Refractive Index	1.52
Boil Point(°C)	172-174°/10mm
Molecular Weight	192.210 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	192.079 Da
Monoisotopic Mass	192.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205.000
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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