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2-Methyl-4-undecanone - >97.0%(GC), high purity , CAS No.19594-40-2

COA

Grade & Purity:

≥97%(GC)

Cas Number: 19594-40-2
Molecular Weight: 184.32
MDL number: MFCD00027319
PubChem CID: 246924
PubChem SID: 488188989

In stock

Item Number

M158247

Grouped product items
SKU	Size	Availability	Price
M158247-1g	1g	5	$129.90
M158247-5g	5g	4	$300.90
M158247-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$545.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC60572 \| NSC-60572 \| n-Heptyl isobutyl ketone \| AKOS009158801 \| LN53YFA9O0 \| AS-57547 \| EINECS 243-176-6 \| I0250 \| H10895 \| NSC 60572 \| 4-Undecanone, 2-methyl- \| ISOBUTYL N-HEPTYL KETONE \| isobutylheptylketon \| MFCD00027319 \| 2-Methyl-4-undecanone \| Hep
Specifications & Purity	≥97%(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	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	488188989
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188989
IUPAC Name	2-methylundecan-4-one
INCHI	InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3
InChIKey	IEBAJFDSHJYDCK-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)CC(C)C
Isomeric SMILES	CCCCCCCC(=O)CC(C)C
Molecular Weight	184.32
Reaxy-Rn	1904616
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904616&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.

4 results found

Lot Number	Certificate Type	Date	Item
H2120317	Certificate of Analysis	Jun 09, 2025	M158247
H2120318	Certificate of Analysis	Jun 09, 2025	M158247
H2120319	Certificate of Analysis	Jun 09, 2025	M158247
D2320228	Certificate of Analysis	Aug 23, 2021	M158247

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°F)	91°C(lit.)
Flash Point(°C)	91°C
Boil Point(°C)	124°C/20mmHg(lit.)
Molecular Weight	184.320 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	184.183 Da
Monoisotopic Mass	184.183 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	127.000
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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