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2，2-Dimethyl-3-oxopentanal - ≥97%, high purity , CAS No.106921-60-2

COA

Grade & Purity:

≥97%

Cas Number: 106921-60-2
Molecular Weight: 128.169
PubChem CID: 11040720

In stock

Item Number

D725451

Grouped product items
SKU	Size	Availability	Price	Qty
D725451-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
D725451-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Beta ketoaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Beta ketoaldehydes
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-ketoaldehyde - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta ketoaldehydes. These are organic compounds containing an aldehyde substituted with a keto group on the second 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

IUPAC Name	2,2-dimethyl-3-oxopentanal
INCHI	InChI=1S/C7H12O2/c1-4-6(9)7(2,3)5-8/h5H,4H2,1-3H3
InChIKey	PVYBKZHBCCMBPS-UHFFFAOYSA-N
Smiles	CCC(=O)C(C)(C)C=O
Isomeric SMILES	CCC(=O)C(C)(C)C=O
PubChem CID	11040720
Molecular Weight	128.169

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	128.169 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
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	125.000
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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