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Methyl 3-oxovalerate - 98%, high purity , CAS No.30414-53-0

COA

Grade & Purity:

≥98%

Cas Number: 30414-53-0
Molecular Weight: 130.14
Beilstein Registry Number: 1753684
EC Number: 250-184-3
MDL number: MFCD00011705
PubChem CID: 121699
PubChem SID: 488187658

In stock

Item Number

M109572

Grouped product items
SKU	Size	Availability	Price
M109572-5g	5g	9	$12.90
M109572-25g	25g	2	$48.90
M109572-100g	100g	2	$133.90
M109572-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$426.90

View related series

Fatty acyl (130)

Basic Description

Synonyms	F0001-0934 \| Methyl 3-oxovalerate \| methyl 3-oxo-valerate \| 3-Ketovaleric Acid Methyl Ester \| EC 250-184-3 \| Methyl propionylacetate \| D08897 \| Methyl 3-oxo-n-valerate \| XJMIXEAZMCTAGH-UHFFFAOYSA- \| SY007180 \| InChI=1/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2
Specifications & Purity	≥98%
Shipped In	Normal

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 methyl esters 1,3-dicarbonyl compounds Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic 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
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

Pubchem Sid	488187658
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187658
IUPAC Name	methyl 3-oxopentanoate
INCHI	InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3
InChIKey	XJMIXEAZMCTAGH-UHFFFAOYSA-N
Smiles	CCC(=O)CC(=O)OC
Isomeric SMILES	CCC(=O)CC(=O)OC
WGK Germany	3
Molecular Weight	130.14
Beilstein	1753684
Reaxy-Rn	1753684
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753684&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.

7 results found

Lot Number	Certificate Type	Date	Item
G2123243	Certificate of Analysis	May 15, 2025	M109572
G2123244	Certificate of Analysis	May 15, 2025	M109572
G2123245	Certificate of Analysis	May 15, 2025	M109572
G2123246	Certificate of Analysis	May 15, 2025	M109572
G2408158	Certificate of Analysis	Apr 12, 2024	M109572
K1822064	Certificate of Analysis	Sep 16, 2022	M109572
D2318185	Certificate of Analysis	Jul 30, 2021	M109572

Chemical and Physical Properties

Refractive Index	1.422
Flash Point(°F)	71℃
Flash Point(°C)	71℃
Boil Point(°C)	73-74°C
Molecular Weight	130.139 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	130.063 Da
Monoisotopic Mass	130.063 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	117.000
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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