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6-Methyl-2,4-heptanedione - 98%, high purity , CAS No.3002-23-1

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 3002-23-1
Molecular Weight: 142.2
Beilstein Registry Number: 1751122
EC Number: 221-093-6
MDL number: MFCD00008939
PubChem CID: 76354

In stock

Item Number

M121439

Grouped product items
SKU	Size	Availability	Price
M121439-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
M121439-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
M121439-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$186.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	AS-77990 \| 6-Methyl-2,4-heptanedione \| 6-Methylheptan-2,4-dione \| AI3-11696 \| D91362 \| Isovalerylacetone \| NSC 94 \| STL185628 \| EINECS 221-093-6 \| 6-Methylheptane-2,4-dione \| M0597 \| NSC94 \| NSC-94 \| FT-0621234 \| UNII-O97VUG08UB \| SCHEMBL110123 \| DTXSID50
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Reactant involved in: Cyclocondensation and deacetylation of dibromo(phenylsulfonyl)propene derivatives for synthesis of disubstituted furans Synthesis of dual activity effectors of angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ Addition reactions with 1-alkynes Knoevenagel condensation Oxidative free radical reactions with 2-amino-1,4-benzoquinones Mild oxidative cleavage for synthesis of carboxylic acids

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors	Oxygenated hydrocarbons
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

IUPAC Name	6-methylheptane-2,4-dione
INCHI	InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChIKey	IGMOYJSFRIASIE-UHFFFAOYSA-N
Smiles	CC(C)CC(=O)CC(=O)C
Isomeric SMILES	CC(C)CC(=O)CC(=O)C
WGK Germany	3
Molecular Weight	142.2
Beilstein	1751122
Reaxy-Rn	1751122
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751122&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	It is insoluble in water.
Refractive Index	1.456
Flash Point(°F)	138.2 °F
Flash Point(°C)	59°C(Lit.)
Boil Point(°C)	183°C
Molecular Weight	142.200 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	142.099 Da
Monoisotopic Mass	142.099 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136.000
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

Citations of This Product

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