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Methyl 5-Oxohexanoate - 98%, high purity , CAS No.13984-50-4

COA

Grade & Purity:

≥98%

Cas Number: 13984-50-4
Molecular Weight: 144.16838
PubChem CID: 84129
PubChem SID: 488186220

In stock

Item Number

M299485

Grouped product items
SKU	Size	Availability	Price
M299485-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
M299485-5g	5g	5	$42.90
M299485-25g	25g	3	$174.90

Discover Methyl 5-Oxohexanoate by Aladdin Scientific in 98% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 5-oxohexanoate \| 13984-50-4 \| Hexanoic acid, 5-oxo-, methyl ester \| Methyl 4-acetylbutyrate \| 5-Oxohexanoic acid methyl ester \| Methyl5-Oxohexanoate-1,4,5-13C3 \| MFCD00038507 \| EINECS 237-775-1 \| Methyl5-oxohexanoate \| methyl 5-oxo-hexanoate \| methyl-4-acetylbutyrate \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid methyl esters
Alternative Parents	Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid methyl ester - Methyl ester - 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
Description	This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl 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	488186220
IUPAC Name	methyl 5-oxohexanoate
INCHI	InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3
InChIKey	AVVPOKSKJSJVIX-UHFFFAOYSA-N
Smiles	CC(=O)CCCC(=O)OC
Isomeric SMILES	CC(=O)CCCC(=O)OC
Molecular Weight	144.16838
Reaxy-Rn	1756242
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756242&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.

2 results found

Lot Number	Certificate Type	Date	Item
G2228035	Certificate of Analysis	Jun 12, 2022	M299485
G2228034	Certificate of Analysis	Jun 12, 2022	M299485

Chemical and Physical Properties

Molecular Weight	144.170 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	144.079 Da
Monoisotopic Mass	144.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129.000
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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