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4-Methylthio-4-methyl-2-pentanone - 99%, high purity , CAS No.23550-40-5

COA

Grade & Purity:

≥99%

Cas Number: 23550-40-5
Molecular Weight: 146.25
EC Number: 245-727-6
MDL number: MFCD00049253
PubChem CID: 4682590
PubChem SID: 488194963

In stock

Item Number

M102764

Grouped product items
SKU	Size	Availability	Price
M102764-5g	5g	3	$11.90
M102764-25g	25g	5	$45.90
M102764-100g	100g	3	$133.90
M102764-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$602.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	D95281 \| FEMA 3376 \| Q-100302 \| 4-methyl-4-(methylsulfanyl)pentan-2-one \| EINECS 245-727-6 \| 2-Pentanone, 4-methyl-4-(methylthio)- \| CHEBI:173384 \| SY101078 \| DTXSID0066905 \| FEMA No. 3376 \| 4-methyl-4-methylsulanylpentan-2-one \| 4-METHYLTHIO-4-METHYL-2-P
Specifications & Purity	≥99%
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	Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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	488194963
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194963
IUPAC Name	4-methyl-4-methylsulfanylpentan-2-one
INCHI	InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
InChIKey	DHANVOSHQILVNQ-UHFFFAOYSA-N
Smiles	CC(=O)CC(C)(C)SC
Isomeric SMILES	CC(=O)CC(C)(C)SC
WGK Germany	3
Molecular Weight	146.25
Reaxy-Rn	2323160
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2323160&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
I2207863	Certificate of Analysis	Jul 25, 2022	M102764
I2207864	Certificate of Analysis	Jul 25, 2022	M102764
I2207865	Certificate of Analysis	Jul 25, 2022	M102764
I2207866	Certificate of Analysis	Jul 25, 2022	M102764

Chemical and Physical Properties

Refractive Index	1.472
Flash Point(°F)	113 °C
Flash Point(°C)	113°C
Boil Point(°C)	78°C
Molecular Weight	146.250 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	146.077 Da
Monoisotopic Mass	146.077 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107.000
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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