Introduction：Basic information about CAS 672-76-4|2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one |
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| CAS Number | 672-76-4 | Molecular Weight | 164.20100 |
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| Density | 1.127g/cm3 | Boiling Point | 303.4ºC at 760 mmHg |
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| Molecular Formula | C10H12O2 | Melting Point | / |
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| MSDS | / | Flash Point | 128.1ºC |
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Names
| Name | 2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.127g/cm3 |
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| Boiling Point | 303.4ºC at 760 mmHg |
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| Molecular Formula | C10H12O2 |
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| Molecular Weight | 164.20100 |
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| Flash Point | 128.1ºC |
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| Exact Mass | 164.08400 |
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| PSA | 37.30000 |
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| LogP | 1.87580 |
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| Index of Refraction | 1.553 |
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| InChIKey | WKEWHSLZDDZONF-UHFFFAOYSA-N |
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| SMILES | CC(C)c1ccc(O)c(=O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GU4580000
- CHEMICAL NAME :
- 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
- CAS REGISTRY NUMBER :
- 672-76-4
- BEILSTEIN REFERENCE NO. :
- 2044323
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H12-O2
- MOLECULAR WEIGHT :
- 164.22
- WISWESSER LINE NOTATION :
- L7VJ BQ EY1&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 :
- 162 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
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Safety Information
Customs
| HS Code | 2914400090 |
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| Summary | 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 5-Isopropyl-tropolon |
| 5-isopropyl-tropolone |
