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4-Methoxy-4-methyl-2-pentanone - 96%, high purity , CAS No.107-70-0

COA

Grade & Purity:

≥96%

Cas Number: 107-70-0
Molecular Weight: 130.19
MDL number: MFCD00043932
PubChem CID: 7884
PubChem SID: 504751492

In stock

Item Number

M158819

Grouped product items
SKU	Size	Availability	Price
M158819-5ml	5ml	5	$9.90
M158819-25ml	25ml	3	$33.90
M158819-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	Pent-Oxone Solvent \| UN2293 \| UNII-02RA332R13 \| 4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid] \| M0652 \| DTXCID805557 \| EINECS 203-512-4 \| UN 2293 \| ME 6 K \| Tox21_300873 \| MFCD00043932 \| CCRIS 4840 \| EN300-36328 \| HSDB 1153 \| 2-Pentanone, 4-
Specifications & Purity	≥96%
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	Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Ether - Dialkyl ether - 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	504751492
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751492
IUPAC Name	4-methoxy-4-methylpentan-2-one
INCHI	InChI=1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
InChIKey	KOKPBCHLPVDQTK-UHFFFAOYSA-N
Smiles	CC(=O)CC(C)(C)OC
Isomeric SMILES	CC(=O)CC(C)(C)OC
UN Number	2293
Packing Group	III
Molecular Weight	130.19
Reaxy-Rn	1747866
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747866&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
H2406577	Certificate of Analysis	Mar 25, 2024	M158819
H2406578	Certificate of Analysis	Mar 25, 2024	M158819
B2320410	Certificate of Analysis	Feb 09, 2023	M158819
B2320407	Certificate of Analysis	Feb 09, 2023	M158819

Chemical and Physical Properties

Solubility	Soluble in water; Degree of Solubility in water: 280 g/l 25 °C
Refractive Index	1.42
Flash Point(°F)	118℉
Flash Point(°C)	48°C(lit.)
Boil Point(°C)	156°C
Molecular Weight	130.180 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	130.099 Da
Monoisotopic Mass	130.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105.000
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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