Introduction：Basic information about CAS 67239-25-2|1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone |
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| CAS Number | 67239-25-2 | Molecular Weight | 194.22700 |
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| Density | 1.158 | Boiling Point | 381ºC at 760 mmHg |
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| Molecular Formula | C11H14O3 | Melting Point | / |
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| MSDS | / | Flash Point | 198.4ºC |
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Names
| Name | 1-(3,4-dihydroxyphenyl)-3-methylbutan-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.158 |
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| Boiling Point | 381ºC at 760 mmHg |
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| Molecular Formula | C11H14O3 |
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| Molecular Weight | 194.22700 |
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| Flash Point | 198.4ºC |
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| Exact Mass | 194.09400 |
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| PSA | 57.53000 |
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| LogP | 2.32660 |
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| Index of Refraction | 1.555 |
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| InChIKey | HREXKWZQGPMOCU-UHFFFAOYSA-N |
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| SMILES | CC(C)CC(=O)c1ccc(O)c(O)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1800000
- CHEMICAL NAME :
- Isovalerophenone, 3',4'-dihydroxy-
- CAS REGISTRY NUMBER :
- 67239-25-2
- BEILSTEIN REFERENCE NO. :
- 3255844
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H14-O3
- MOLECULAR WEIGHT :
- 194.25
- WISWESSER LINE NOTATION :
- QR BQ DV1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 650 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964
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Synonyms
| 3',4'-Dihydroxyisovalerophenone |
| ISOVALEROPHENONE,3',4'-DIHYDROXY |
| Isovalerophenone,4'-dihydroxy |
