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5-Methyl-2,3-hexanedione - 94%, high purity , CAS No.13706-86-0

1 Citations

COA

Grade & Purity:

≥94%

Cas Number: 13706-86-0
Molecular Weight: 128.17
MDL number: MFCD00059352
PubChem CID: 26204

In stock

Item Number

M102529

Grouped product items
SKU	Size	Availability	Price
M102529-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
M102529-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
M102529-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	M0752 \| METHYL-2,3-HEXANEDIONE, 5- \| EINECS 237-241-8 \| Tox21_202802 \| 5-Methyl-2,3-hexanedione \| FT-0704355 \| Acetyl isopentanoyl \| Acetyl isovaleryl \| 2,3-HEXANEDIONE, 5-METHYL- \| 2-Methylhexa-4,5-dione \| Methylhexanedione \| 4-01-00-03701 (Beilstein Han
Specifications & Purity	≥94%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-diketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-diketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms.
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	5-methylhexane-2,3-dione
INCHI	InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
InChIKey	PQCLJXVUAWLNSV-UHFFFAOYSA-N
Smiles	CC(C)CC(=O)C(=O)C
Isomeric SMILES	CC(C)CC(=O)C(=O)C
RTECS	MO3200000
UN Number	1224
Molecular Weight	128.17
Reaxy-Rn	1745751
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745751&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.

1 results found

Lot Number	Certificate Type	Date	Item
H2406512	Certificate of Analysis	Apr 16, 2024	M102529

Chemical and Physical Properties

Sensitivity	Light Sensitive,Hygroscopic
Refractive Index	1.41
Flash Point(°F)	26°C
Flash Point(°C)	26°C
Boil Point(°C)	138°C
Molecular Weight	128.169 g/mol
XLogP3	0.900
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

Citations of This Product

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