2-Butanoneoxime - ≥99% , CAS No.96-29-7

CAS: 96-29-7 Cat. No.: B105233 Formula: C₄H₉NO Molecular Weight: 87.12 Beilstein Registry Number: 1698241 EC Number: 406-930-7

GRADE & PURITY ≥99%

Synonyms

methylethylketone oxime | AKOS017263158 | 2-Butoxime | SKINO 2 | ethylmethyl-ketoxime | Aron M 1 | Butan-2-one, oxime | Methyl ethyl ketoxime | (E)-butan-2-one oxime | 2-BUTANONE OXIME | Methylethylketoxime | N-butan-2-ylidenehydroxylamine | DTXSID1021821

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

application：

2-Butanone oxime was employed as reagent and solvent in the syntheses of ketoimine and 2,4-dipyridyl-1,3,5-triazapentadiene palladium(II) complexes. It was also used in the synthesis of novel acetaldiimine cobalt complex, [CoI2{((CH3CH2)(CH3)C=NO)2C(CH3)2}]. Methyl ethyl ketoxime is used primarily as an antiskinning agent in alkyd coating resins

Specifications

Synonyms

methylethylketone oxime | AKOS017263158 | 2-Butoxime | SKINO 2 | ethylmethyl-ketoxime | Aron M 1 | Butan-2-one, oxime | Methyl ethyl ketoxime | (E)-butan-2-one oxime | 2-BUTANONE OXIME | Methylethylketoxime | N-butan-2-ylidenehydroxylamine | DTXSID1021821

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

488180372

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180372

Canonical Smiles

CCC(=NO)C

IUPAC Name

N-butan-2-ylidenehydroxylamine

InChIKey

WHIVNJATOVLWBW-UHFFFAOYSA-N

INCHI

1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3

Isomeric SMILES

CCC(=NO)C

WGK Germany

1

RTECS

EL9275000

UN Number

1993

Packing Group

I

Molecular Weight

87.12

Beilstein

1698241

Reaxy-Rn

1698241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698241&ln=

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

Data sources

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

Chemical and Physical Properties

• Solubility: Soluble in water at 20°C 114 g/L. Soluble in most organic solvents .
• Refractive Index: 1.441
• Flash Point(°F): 141.8 °F
• Flash Point(°C): 60 °C
• Boil Point(°C): 59-60°C
• Melt Point(°C): -29.5°C
• Molecular Weight: 87.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.600
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 96-29-7, the molecular formula is C4H9NO, and the molecular weight is 87.12 g/mol. InChIKey WHIVNJATOVLWBW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.