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6-Methyl-2-heptanone - >98.0%(GC), high purity , CAS No.928-68-7

4 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 928-68-7
Molecular Weight: 128.22
Beilstein Registry Number: 1(4)3344
MDL number: MFCD00026527
PubChem CID: 13572
PubChem SID: 488181867

In stock

Item Number

M158865

Grouped product items
SKU	Size	Availability	Price
M158865-1ml	1ml	2	$22.90
M158865-5ml	5ml	3	$88.90
M158865-25ml	25ml	3	$255.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	M0700 \| Q27284399 \| BS-17861 \| FT-0621212 \| LMFA12000041 \| 6-METHYLHEPTANONE \| AKOS009157571 \| EINECS 213-179-7 \| SCHEMBL130602 \| 2-Isooctanone \| ISOOCTAN-2-ONE \| D81757 \| 6-Methyl 2-heptanone \| CHEBI:184396 \| EN300-72298 \| 2-Heptanone,6-methyl- \| InChI=1
Specifications & Purity	≥98%(GC)
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	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

Pubchem Sid	488181867
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181867
IUPAC Name	6-methylheptan-2-one
INCHI	InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey	DPLGXGDPPMLJHN-UHFFFAOYSA-N
Smiles	CC(C)CCCC(=O)C
Isomeric SMILES	CC(C)CCCC(=O)C
Molecular Weight	128.22
Beilstein	1(4)3344
Reaxy-Rn	635835
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635835&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.

3 results found

Lot Number	Certificate Type	Date	Item
I2206858	Certificate of Analysis	Jul 09, 2022	M158865
I2206881	Certificate of Analysis	Jul 09, 2022	M158865
I2206882	Certificate of Analysis	Jul 09, 2022	M158865

Chemical and Physical Properties

Refractive Index	1.4110-1.4160
Flash Point(°C)	45 °C
Boil Point(°C)	171°C
Molecular Weight	128.210 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	128.12 Da
Monoisotopic Mass	128.12 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	84.600
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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