3-Isobutyl-1-methylxanthine
Suppliers
Names
[ CAS No. ]:
28822-58-4
[ Name ]:
3-Isobutyl-1-methylxanthine
[Synonym ]:
3-Isobutyl-1-methyxanthine
3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
3-Isobutyl-1-methylxanthine (IBMX)
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
IBMX
EINECS 249-259-3
Xanthine,3-isobutyl-1-methyl
MFCD00005584
1-METHYL-3-ISOBUTYLXANTHINE
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
3-Isobutyl-1-methylxanthine
isobutylmethylxanthine
Methylisobutylxanthine
Methylergometrine maleate
3-isobutylmethylxanthine
3-isobutyl-1-methyl-7H-xanthine
NSC165960
SC2964
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Boiling Point ]:
445.6±37.0 °C at 760 mmHg
[ Melting Point ]:
200-201 °C(lit.)
[ Molecular Formula ]:
C10H14N4O2
[ Molecular Weight ]:
222.244
[ Flash Point ]:
223.3±26.5 °C
[ Exact Mass ]:
222.111679
[ PSA ]:
72.68000
[ LogP ]:
1.24
[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C
[ Index of Refraction ]:
1.569
[ Storage condition ]:
−20°C
[ Water Solubility ]:
DMSO: 1 M with gentle warming
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ZD8500000
- CHEMICAL NAME :
- Xanthine, 3-isobutyl-1-methyl-
- CAS REGISTRY NUMBER :
- 28822-58-4
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C10-H14-N4-O2
- MOLECULAR WEIGHT :
- 222.28
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ F1Y1&1 H1
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 :
- 44 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 20 mg/kg
- REFERENCE :
- RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 54,121,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6639 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 198 (estimated) No. of Female Employees: 151 (estimated)
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves
[ Hazard Codes ]:
Xn: Harmful;
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
ZD8500000
[ HS Code ]:
2942000000
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2942000000
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