Introduction：Basic information about CAS 504-20-1|Phorone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phorone |
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| CAS Number | 504-20-1 | Molecular Weight | 138.207 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 198.5±9.0 °C at 760 mmHg |
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| Molecular Formula | C9H14O | Melting Point | 23-26 °C(lit.) |
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| MSDS | / | Flash Point | 79.4±0.0 °C |
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Names
| Name | phorone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 198.5±9.0 °C at 760 mmHg |
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| Melting Point | 23-26 °C(lit.) |
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| Molecular Formula | C9H14O |
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| Molecular Weight | 138.207 |
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| Flash Point | 79.4±0.0 °C |
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| Exact Mass | 138.104462 |
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| PSA | 17.07000 |
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| LogP | 2.76 |
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| Vapour density | 4.8 (vs air) |
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| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
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| Index of Refraction | 1.454 |
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| InChIKey | MTZWHHIREPJPTG-UHFFFAOYSA-N |
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| SMILES | CC(C)=CC(=O)C=C(C)C |
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| Storage condition | 2~8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MI5500000
- CHEMICAL NAME :
- 2,5-Heptadien-4-one, 2,6-dimethyl-
- CAS REGISTRY NUMBER :
- 504-20-1
- BEILSTEIN REFERENCE NO. :
- 1699751
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H14-O
- MOLECULAR WEIGHT :
- 138.23
- WISWESSER LINE NOTATION :
- 1Y1&U1V1UY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 56,346,1906
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Safety Information
| Hazard Codes | Xi |
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| WGK Germany | 3 |
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| RTECS | MI5500000 |
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| HS Code | 2914190090 |
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Customs
| HS Code | 2914190090 |
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| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 2,5-Heptadien-4-one, 2,6-dimethyl- |
| Diisopropylidene acetone |
| 2,6-Dimethyl-2,5-heptadien-4-one |
| MFCD00008901 |
| 2,6-Dimethyl-2,5-heptadiene-4-one |
| Diisobutenyl ketone |
| Phorone |
| Diisopropylideneacetone |
| EINECS 207-986-3 |
| 2,6-Dimethylhepta-2,5-dien-4-one |
