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4-Methyl-2-pentanone Oxime - ≥98%(GC), high purity , CAS No.105-44-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 105-44-2
Molecular Weight: 115.18
Beilstein Registry Number: 1(4)3307
MDL number: MFCD00013933
PubChem CID: 7756
PubChem SID: 488180555

In stock

Item Number

M302141

Grouped product items
SKU	Size	Availability	Price
M302141-5ml	5ml	3	$43.90
M302141-25ml	25ml	2	$146.90
M302141-100ml	100ml	1	$466.90
M302141-500ml	500ml	2	$1,799.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID6044771 \| D91365 \| M0642 \| NCGC00248332-01 \| AKOS017263161 \| 4-Methyl-2-pentanone oxime \| (2E)-4-Methyl-2-pentanone oxime # \| FT-0619017 \| (E)-4-methylpentan-2-one oxime \| 2-Methyl-4-pentanone oxime \| Isobutyl Methyl Ketoxime \| Isopropylacetone Oxim
Specifications & Purity	≥98%(GC)
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Oximes

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Oximes
Intermediate Tree Nodes	Not available
Direct Parent	Ketoximes
Alternative Parents	Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl).
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	488180555
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180555
IUPAC Name	N-(4-methylpentan-2-ylidene)hydroxylamine
INCHI	InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3
InChIKey	ZKALVNREMFLWAN-UHFFFAOYSA-N
Smiles	CC(C)CC(=NO)C
Isomeric SMILES	CC(C)CC(=NO)C
RTECS	SA9450000
Molecular Weight	115.18
Beilstein	1(4)3307
Reaxy-Rn	1741644
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741644&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
H2305078	Certificate of Analysis	Jul 18, 2023	M302141
H2305097	Certificate of Analysis	Jul 18, 2023	M302141
H2305072	Certificate of Analysis	Jul 18, 2023	M302141
H2305079	Certificate of Analysis	Jul 18, 2023	M302141
H2305089	Certificate of Analysis	Jul 18, 2023	M302141
H2305082	Certificate of Analysis	Jul 18, 2023	M302141
H2305088	Certificate of Analysis	Jul 18, 2023	M302141

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°C)	78°C(lit.)
Boil Point(°C)	70 °C/8 mmHg
Molecular Weight	115.170 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	115.1 Da
Monoisotopic Mass	115.1 Da
Topological Polar Surface Area	32.600 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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