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5,5-Dimethylhexane-2,4-dione - ≥97%, high purity , CAS No.7307-04-2

COA

Grade & Purity:

≥97%

Cas Number: 7307-04-2
Molecular Weight: 142.2
EC Number: 230-760-0
MDL number: MFCD00142767
PubChem CID: 81741
PubChem SID: 488186001

In stock

Item Number

D139227

Grouped product items
SKU	Size	Availability	Price
D139227-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$64.90
D139227-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$216.90
D139227-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$974.90
D139227-100g	100g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$3,508.90

Basic Description

Synonyms	5,5-Dimethylhexane-2,4-dione \| 7307-04-2 \| 2,2-DIMETHYL-3,5-HEXANEDIONE \| 2,4-Hexanedione, 5,5-dimethyl- \| pivaloylacetone \| Pivaloylacetone, keto form \| 5,5-Dimethyl-2,4-hexanedione \| SCHEMBL46501 \| 2,2-dimethylhexan-3,5-dione \| 5,5-Dimethyl-hexan-2,4-dione \| DTXSID90223342
Specifications & Purity	≥97%
Shipped In	Normal

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	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	488186001
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186001
IUPAC Name	5,5-dimethylhexane-2,4-dione
INCHI	InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3
InChIKey	LCLCVVVHIPPHCG-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)C(C)(C)C
Isomeric SMILES	CC(=O)CC(=O)C(C)(C)C
WGK Germany	3
Molecular Weight	142.2
Reaxy-Rn	969813
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969813&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
F2326147	Certificate of Analysis	Apr 09, 2025	D139227
F2326141	Certificate of Analysis	Apr 09, 2025	D139227
F2326140	Certificate of Analysis	Apr 09, 2025	D139227
E2224194	Certificate of Analysis	Mar 22, 2024	D139227
E2224191	Certificate of Analysis	Mar 22, 2024	D139227
E2224060	Certificate of Analysis	Mar 22, 2024	D139227
E2224061	Certificate of Analysis	Mar 22, 2024	D139227

Chemical and Physical Properties

Refractive Index	1.4600
Flash Point(°F)	134°F
Flash Point(°C)	57℃
Boil Point(°C)	60°/10mm
Molecular Weight	142.200 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
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	151.000
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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