Introduction：Basic information about CAS 490-82-4|Oxo Thiamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Oxo Thiamine |
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| CAS Number | 490-82-4 | Molecular Weight | 280.34600 |
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| Density | 1.378g/cm3 | Boiling Point | 507ºC at 760mmHg |
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| Molecular Formula | C12H16N4O2S | Melting Point | / |
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| MSDS | / | Flash Point | 260.4ºC |
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Names
| Name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.378g/cm3 |
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| Boiling Point | 507ºC at 760mmHg |
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| Molecular Formula | C12H16N4O2S |
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| Molecular Weight | 280.34600 |
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| Flash Point | 260.4ºC |
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| Exact Mass | 280.09900 |
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| PSA | 122.27000 |
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| LogP | 1.06310 |
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| Vapour Pressure | 4.23E-11mmHg at 25°C |
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| Index of Refraction | 1.662 |
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| InChIKey | VXCONGLPCAPYEU-UHFFFAOYSA-N |
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| SMILES | Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XJ7054240
- CHEMICAL NAME :
- (3H)-Thiazolone, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydro xyethyl)-4-methyl-
- CAS REGISTRY NUMBER :
- 490-82-4
- BEILSTEIN REFERENCE NO. :
- 0310984
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C12-H16-N4-O2-S
- MOLECULAR WEIGHT :
- 280.38
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 530 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 23,69,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 730 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 23,69,1968
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 23,69,1968
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Synonyms
| Thiamine thiazolone |
| 3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-aethyl)-4-methyl-3H-thiazol-2-on |
| 2(3h)-thiazolone,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl |
| 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazol-2-one |
| 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone |
| thiamine thiazolin-2-one |
| Thiaminthiazolone |
| Oxo Thiamine |
| Tiamintiazolone [Italian] |
| EINECS 207-719-0 |
| (3H)-Thiazolone,3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl |
