Acetoxime - ≥98% , CAS No.127-06-0

CAS: 127-06-0 Cat. No.: A112746 Molecular Weight: 73.09 Beilstein Registry Number: 1560146 EC Number: 204-820-1

GRADE & PURITY ≥98%

Synonyms

ACETOXIME [MI] | MFCD00002118 | N-propan-2-ylidenehydroxylamine | Propane-2-one oxime | J-005459 | ACETONE-OXIME | A805635 | NSC7601 | NSC-7601 | 2-Propanone oxime | STL185580 | C01995 | QX74TFD64T | UNII-QX74TFD64T | Acetone oxime | Acetone oxime, Vetec(

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

ACETOXIME [MI] | MFCD00002118 | N-propan-2-ylidenehydroxylamine | Propane-2-one oxime | J-005459 | ACETONE-OXIME | A805635 | NSC7601 | NSC-7601 | 2-Propanone oxime | STL185580 | C01995 | QX74TFD64T | UNII-QX74TFD64T | Acetone oxime | Acetone oxime, Vetec(

Specifications & Purity

≥98%

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754132
• Canonical Smiles: CC(=NO)C
• IUPAC Name: N-propan-2-ylidenehydroxylamine
• InChIKey: PXAJQJMDEXJWFB-UHFFFAOYSA-N
• INCHI: 1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
• Isomeric SMILES: CC(=NO)C
• WGK Germany: 3
• RTECS: AL6825000
• Molecular Weight: 73.09
• Beilstein: 1560146
• Reaxy-Rn: 969234
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969234&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: a small molecule

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 (330 g/L at 20°C).
• Refractive Index: 1.4156
• Boil Point(°C): 134.8°C
• Melt Point(°C): 60°C
• Molecular Weight: 73.090 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 73.0528 Da
• Monoisotopic Mass: 73.0528 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• 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

References

1. Zhiqiang Zhang, Qingyan Chu, Yuan Sun, Hao Wang, Deming Lu, Yuying Liu, Haibin Xiao, Ping Wang, Hongyou Cui, Ming Wang.  (2022)  Green Synthesis of 2-Nitropropane via Ammoximation-Oxidation over Organic Base Modified TS-1 Catalysts.  ChemistrySelect,  7  (35): (e202202475).  [PMID:] [10.1002/slct.202202475]

2. Qiang Gao, Weiwei Fan, Zhonghui Wang, Haojun Fan, Jun Xiang.  (2026)  Porous solvent-free polyurethane coating with 3D conductive network for efficient electrothermal/photothermal conversion and intelligent temperature sensing.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.175320]