Iberin
Suppliers
Names
[ CAS No. ]:
505-44-2
[ Name ]:
Iberin
[Synonym ]:
sulfpraphane
3-isothiocyanatopropyl methyl sulfoxide
METHYLSULFINYLPROPYLISOTHIOCYANATE
Propane, 1-isothiocyanato-3-(methylsulfinyl)-
3-Methylsulfinylpropyl isothiocyanate
Iberin
1-Isothiocyanato-3-(methylsulfinyl)propane
C5H9NOS2
3-Methylsulphinylpropylisothiocyanate
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
362.4±25.0 °C at 760 mmHg
[ Molecular Formula ]:
C5H9NOS2
[ Molecular Weight ]:
163.261
[ Flash Point ]:
173.0±23.2 °C
[ Exact Mass ]:
163.012558
[ PSA ]:
80.73000
[ LogP ]:
-0.05
[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C
[ Index of Refraction ]:
1.577
[ Storage condition ]:
2-8℃
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX8950000
- CHEMICAL NAME :
- Isothiocyanic acid, 3-(methylsulfinyl)propyl ester
- CAS REGISTRY NUMBER :
- 505-44-2
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H9-N-O-S2
- MOLECULAR WEIGHT :
- 163.27
- WISWESSER LINE NOTATION :
- SCN3SO&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980