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3,3-Dimethyl-2,4-pentanedione - 97%, high purity , CAS No.3142-58-3

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 3142-58-3
Molecular Weight: 128.17
MDL number: MFCD00048222
PubChem CID: 76595

In stock

Item Number

D469073

Grouped product items
SKU	Size	Availability	Price
D469073-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
D469073-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$158.90
D469073-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$553.90

Basic Description

Synonyms	2,4-Pentanedione, 3,3-dimethyl- \| AKOS015916629 \| 3,3-Dimethyl-2,4-pentanedione, 97% \| Dimethylacetylacetone \| 3,3-dimethyl-2,4-pentandione \| 3,3-dimethyl-pentane-2,4-dione \| 3,3-Dimethylpentane-2,4-dione \| NEZ3E3TQ9C \| NSC42609 \| NSC-42609 \| EINECS 221-5
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
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

IUPAC Name	3,3-dimethylpentane-2,4-dione
INCHI	InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3
InChIKey	SWGDHTSWHSSMLE-UHFFFAOYSA-N
Smiles	CC(=O)C(C)(C)C(=O)C
Isomeric SMILES	CC(=O)C(C)(C)C(=O)C
WGK Germany	3
Molecular Weight	128.17
Reaxy-Rn	1305363
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1305363&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.4290 (lit.)
Flash Point(°F)	163.4 °F
Flash Point(°C)	73 °C
Boil Point(°C)	25-26 °C/2 mmHg (lit.)
Molecular Weight	128.169 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.084 Da
Monoisotopic Mass	128.084 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
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

Citations of This Product

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