CAS 57-71-6|Diacetyl monoxime

Introduction:Basic information about CAS 57-71-6|Diacetyl monoxime, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDiacetyl monoxime
CAS Number57-71-6Molecular Weight101.104
Density1.1±0.1 g/cm3Boiling Point185.5±9.0 °C at 760 mmHg
Molecular FormulaC4H7NO2Melting Point75-78 °C(lit.)
MSDSUSAFlash Point66.0±18.7 °C

Names

NameDiacetylmonoxime
SynonymMore Synonyms

Diacetyl monoxime BiologicalActivity

DescriptionBiacetyl monoxime (Diacetyl monoxime), a myosin ATPase inhibitor, is a skeletal and cardiac muscle contraction inhibitor. Biacetyl monoxime induces sarcoplasmic reticulum Ca2+ release[1][2].
Related CatalogResearch Areas >>Metabolic Disease
References

[1]. Kohsuke Hashimoto, et al. The myosin ATPase inhibitor, 2,3-butanedione 2-monoxime, prevents protein secretion by the basidiomycete Coprinopsis cinerea. Biotechnol Lett. 2011 Apr;33(4):769-75.

[2]. R M Phillips, et al. 2,3-Butanedione 2-monoxime (BDM) induces calcium release from canine cardiac sarcoplasmic reticulum. Biochem Biophys Res Commun. 1996 Dec 4;229(1):154-7.

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point185.5±9.0 °C at 760 mmHg
Melting Point75-78 °C(lit.)
Molecular FormulaC4H7NO2
Molecular Weight101.104
Flash Point66.0±18.7 °C
Exact Mass101.047676
PSA49.66000
LogP-0.47
Vapour Pressure0.3±0.7 mmHg at 25°C
Index of Refraction1.452
InChIKeyFSEUPUDHEBLWJY-UHFFFAOYSA-N
SMILESCC(=O)C(C)=NO
StabilityStable. Incompatible with strong oxidizing agents.
Water Solubility5 g/100 mL (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK3150000
CHEMICAL NAME :
2,3-Butanedione, monooxime
CAS REGISTRY NUMBER :
57-71-6
BEILSTEIN REFERENCE NO. :
0605582
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C4-H7-N-O2
MOLECULAR WEIGHT :
101.12
WISWESSER LINE NOTATION :
QNUY1&V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
51 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,1143,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6850 mg/kg/23D-I
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
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 *** REVIEWS *** TOXICOLOGY REVIEW JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,1143,1964 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0440 No. of Facilities: 718 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 4820 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0440 No. of Facilities: 370 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 1974 (estimated) No. of Female Employees: 1730 (estimated)

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXn:Harmful
Risk PhrasesR20/21/22;R36/37/38
Safety PhrasesS22-S24/25-S36/37/39-S26
RIDADRNONH for all modes of transport
WGK Germany3
RTECSEK3150000
HS Code29280090

Customs

HS Code2928000090
Summary2928000090 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%

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Synonyms

2,3-Butanedione, monooxime, (2E)-
(3E)-3-(Hydroxyimino)-2-butanone
EINECS 200-348-5
2,3-BUTANEDIONE-2-OXIME
Diacetyl monoxime
(2E)-butane-2,3-dione oxime
(3E)-3-(Hydroxyimino)butan-2-one
MFCD00002116
2,3-Butanedione monoxime
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