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5-Oxohexanoic Acid - >98.0%(GC), high purity , CAS No.3128-06-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3128-06-1
Molecular Weight: 130.14
MDL number: MFCD00004412
PubChem CID: 18407
PubChem SID: 488182471

In stock

Item Number

O159987

Grouped product items
SKU	Size	Availability	Price
O159987-5g	5g	3	$40.90
O159987-25g	25g	3	$133.90
O159987-100g	100g	3	$478.90

View related series

Antibiotic (1629) carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	.delta.-Ketocaproic acid \| 5-OXOHEXANOIC ACID \| CS-W001957 \| 5-oxohexanoic acid;4-Acetylbutyric Acid \| EINECS 221-511-7 \| SY015106 \| Z147652222 \| K0014 \| 5-oxocaproic acid \| 5-oxo-caproic acid \| 5-Oxohexanoate \| gamma-Acetylbutyrate \| .DELTA.-KETOHEXANOIC
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	Application 4-Acetylbutyric acid may be used in the preparation of the following compounds:5-hydroxyhexanoic acid；6-methyl1-3,4-dihydro-pyran-2-one, precursor for 5-acetyl-tetrahydro-2-(3H)-furanone；substituted N-aminolactams；(±)-5-methyl-δ-valerolactone

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain fatty acids
Alternative Parents	Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Medium-chain fatty acid - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors	Oxo fatty acids
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	488182471
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182471
IUPAC Name	5-oxohexanoic acid
INCHI	InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey	MGTZCLMLSSAXLD-UHFFFAOYSA-N
Smiles	CC(=O)CCCC(=O)O
Isomeric SMILES	CC(=O)CCCC(=O)O
Molecular Weight	130.14
Reaxy-Rn	385840
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385840&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.

4 results found

Lot Number	Certificate Type	Date	Item
J2229378	Certificate of Analysis	Sep 12, 2022	O159987
J2229380	Certificate of Analysis	Sep 12, 2022	O159987
J2229694	Certificate of Analysis	Sep 12, 2022	O159987
K2422118	Certificate of Analysis	Sep 12, 2022	O159987

Chemical and Physical Properties

Solubility	Slightly soluble in water, chloroform and methanol.
Refractive Index	1.4430 to 1.4470
Boil Point(°C)	160 °C/14 mmHg
Melt Point(°C)	14 °C
Molecular Weight	130.139 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	130.063 Da
Monoisotopic Mass	130.063 Da
Topological Polar Surface Area	54.400 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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