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2-Methyl-4-heptanone - >98.0%(GC), high purity , CAS No.626-33-5

COA

Grade & Purity:

≥98%(GC)

Cas Number: 626-33-5
Molecular Weight: 128.22
MDL number: MFCD00027143
PubChem CID: 69378
PubChem SID: 504754379

In stock

Item Number

M158863

Grouped product items
SKU	Size	Availability	Price	Qty
M158863-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$81.90
M158863-5ml	5ml	2	$312.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID4060816 \| AKOS009159339 \| AI3-28138 \| T72726 \| SCHEMBL104701 \| AKRJXOYALOGLHQ-UHFFFAOYSA- \| EINECS 210-943-1 \| 9EPS3PVK5G \| 2-Methylheptan-4-one \| FT-0632637 \| 2-Methyl-4-heptanone \| ISOBUTYL n-PROPYL KETONE \| 4-Heptanone, 2-methyl- \| Isobutyl propy
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	504754379
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754379
IUPAC Name	2-methylheptan-4-one
INCHI	InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey	AKRJXOYALOGLHQ-UHFFFAOYSA-N
Smiles	CCCC(=O)CC(C)C
Isomeric SMILES	CCCC(=O)CC(C)C
Molecular Weight	128.22
Reaxy-Rn	1742290
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742290&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F2004036	Certificate of Analysis	Mar 07, 2024	M158863

Chemical and Physical Properties

Flash Point(°F)	44°C(lit.)
Flash Point(°C)	44°C
Boil Point(°C)	155°C
Molecular Weight	128.210 g/mol
XLogP3	2.000
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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