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4,6-Dimethyl-2-Heptanone - 97%, high purity , CAS No.19549-80-5

COA

Grade & Purity:

≥97%

Cas Number: 19549-80-5
Molecular Weight: 142.24
PubChem CID: 89180
PubChem SID: 504755986

In stock

Item Number

D301469

Grouped product items
SKU	Size	Availability	Price
D301469-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D301469-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
D301469-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90
D301469-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
D301469-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90

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Organic oxides (3)

Basic Description

Synonyms	4,6-Dimethyl-2-Heptanon \| 4,6-dimethylheptanone \| D95694 \| DTXSID2052784 \| 4,6-Dimethylheptan-2-one \| W-110500 \| EINECS 243-148-3 \| 4,6-Dimethyl-2-heptanone \| EN300-129689 \| SCHEMBL183207 \| FT-0688209 \| CS-0449098 \| DS-6352 \| 2-Heptanone, 4,6-dimethyl- \|
Specifications & Purity	≥97%
Shipped In	Normal

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

Pubchem Sid	504755986
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755986
IUPAC Name	4,6-dimethylheptan-2-one
INCHI	InChI=1S/C9H18O/c1-7(2)5-8(3)6-9(4)10/h7-8H,5-6H2,1-4H3
InChIKey	YXFDTUKUWNQPFV-UHFFFAOYSA-N
Smiles	CC(C)CC(C)CC(=O)C
Isomeric SMILES	CC(C)CC(C)CC(=O)C
Molecular Weight	142.24
Reaxy-Rn	1746398
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746398&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.

11 results found

Lot Number	Certificate Type	Date	Item
B2427427	Certificate of Analysis	Apr 03, 2025	D301469
B2427428	Certificate of Analysis	Apr 03, 2025	D301469
B2427429	Certificate of Analysis	Apr 03, 2025	D301469
B2427502	Certificate of Analysis	Apr 03, 2025	D301469
B2427504	Certificate of Analysis	Apr 03, 2025	D301469
B2427532	Certificate of Analysis	Apr 03, 2025	D301469
B2427534	Certificate of Analysis	Apr 03, 2025	D301469
B2427535	Certificate of Analysis	Apr 03, 2025	D301469
D2517022	Certificate of Analysis	Apr 03, 2025	D301469
L2014190	Certificate of Analysis	Oct 12, 2024	D301469
A2412091	Certificate of Analysis	Jan 19, 2024	D301469

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Chemical and Physical Properties

Refractive Index	1.413
Flash Point(°F)	44.7℃
Flash Point(°C)	44.7℃
Boil Point(°C)	170.3℃at760mmHg
Melt Point(°C)	-46℃
Molecular Weight	142.240 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	142.136 Da
Monoisotopic Mass	142.136 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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