Propan-2-one oxime

Names

[ CAS No. ]:
127-06-0

[ Name ]:
Propan-2-one oxime

[Synonym ]:
N-Hydroxypropan-2-imine
Acetone, oxime
β-Isonitrosopropane
MFCD00002118
Acetone oxime
2-Propanone, oxime
Acetoxime
EINECS 204-820-1
b-Isonitrosopropane
N-Hydroxy-2-propanimine
N-propan-2-ylidenehydroxylamine
propan-2-one oxime

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
135.0±0.0 °C at 760 mmHg

[ Melting Point ]:
60-63 °C(lit.)

[ Molecular Formula ]:
C₃H₇NO

[ Molecular Weight ]:
73.094

[ Flash Point ]:
45.2±8.0 °C

[ Exact Mass ]:
73.052765

[ PSA ]:
32.59000

[ LogP ]:
0.12

[ Vapour Pressure ]:
4.7±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.410

[ Water Solubility ]:
330 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AL6825000

CHEMICAL NAME :: Acetone, oxime

CAS REGISTRY NUMBER :: 127-06-0

BEILSTEIN REFERENCE NO. :: 1560146

LAST UPDATED :: 199712

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C3-H7-N-O

MOLECULAR WEIGHT :: 73.11

WISWESSER LINE NOTATION :: QNUY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,26,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4 gm/kg

TOXIC EFFECTS :: Behavioral - coma

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,522,1957

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 12,227,1978

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
UN1325

[ WGK Germany ]:
3

[ RTECS ]:
AL6825000

[ Packaging Group ]:
III

[ Hazard Class ]:
4.1

[ HS Code ]:
2928000090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2928000090

[ Summary ]:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

Articles

Slow oxidation of acetoxime and methylethyl ketoxime to the corresponding nitronates and hydroxy nitronates by liver microsomes from rats, mice, and humans.

Toxicol. Sci. 47(2) , 144-50, (1999)

Acetoxime and methylethyl ketoxime (MEKO) are tumorigenic in rodents, inducing liver tumors in male animals. The mechanisms of tumorigenicity for these compounds are not well defined. Oxidation of the...

Synthesis and anticancer evaluation of benzyloxyurea derivatives.

Chem. Pharm. Bull. 62(9) , 898-905, (2014)

A series of novel benzyloxyurea derivatives was designed, synthesized by substituting different benzyls or phenyls on N,N'-positions of the hydroxyurea (HU). These target compounds were evaluated for ...

Reversion of structure-activity relationships of antitumor platinum complexes by acetoxime but not hydroxylamine ligands.

Mol. Pharmacol. 71(1) , 357-65, (2007)

The presence of cis-configured exchangeable ligands has long been considered a prerequisite for antitumor activity of platinum complexes, but over the past few years, several examples violating this s...