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2-Methyl-5-oxo-1-cyclopentenyl Butyrate - >98.0%(GC), high purity , CAS No.68227-51-0

COA

Grade & Purity:

≥98%(GC)

Cas Number: 68227-51-0
Molecular Weight: 182.22
MDL number: MFCD00798052
PubChem CID: 109828
PubChem SID: 504756667

In stock

Item Number

M158716

Grouped product items
SKU	Size	Availability	Price
M158716-1g	1g	3	$38.90
M158716-5g	5g	3	$148.90
M158716-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90
M158716-25g	25g	1	$513.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	D82570 \| 3-Methyl-2-hydroxy-2-cyclopenten-1-one, butyrate \| DS-5718 \| FEMA NO. 4648 \| SCHEMBL18339154 \| EINECS 269-363-2 \| A836054 \| Butanoic acid, 2-methyl-5-oxo-1-cyclopenten-1-yl ester \| BUTYRIC ACID, 2-METHYL-5-OXO-1-CYCLOPENTEN-1-YL ESTER \| UNII-AQY4
Specifications & Purity	≥98%(GC)
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 esters
Alternative Parents	Enol esters Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Fatty acid ester - Enol ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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	504756667
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756667
IUPAC Name	(2-methyl-5-oxocyclopenten-1-yl) butanoate
INCHI	InChI=1S/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3
InChIKey	SUJWBOKDKMEAOQ-UHFFFAOYSA-N
Smiles	CCCC(=O)OC1=C(CCC1=O)C
Isomeric SMILES	CCCC(=O)OC1=C(CCC1=O)C
Molecular Weight	182.22
Reaxy-Rn	3256680
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3256680&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
J2226039	Certificate of Analysis	Oct 28, 2022	M158716
C1816031	Certificate of Analysis	Jan 22, 2022	M158716
C1816030	Certificate of Analysis	Jan 22, 2022	M158716

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.48
Flash Point(°C)	134 °C
Boil Point(°C)	85 °C/0.1 mmHg
Molecular Weight	182.220 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.094 Da
Monoisotopic Mass	182.094 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	263.000
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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