Introduction:Basic information about CAS 495-74-9|2,4-Hexadiyn-1-one,1-phenyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4-Hexadiyn-1-one,1-phenyl- |
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| CAS Number | 495-74-9 | Molecular Weight | 168.19100 |
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| Density | 1.094g/cm3 | Boiling Point | 279.8ºC at 760mmHg |
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| Molecular Formula | C12H8O | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | capillin |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.094g/cm3 |
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| Boiling Point | 279.8ºC at 760mmHg |
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| Molecular Formula | C12H8O |
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| Molecular Weight | 168.19100 |
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| Exact Mass | 168.05800 |
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| PSA | 17.07000 |
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| LogP | 1.89600 |
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| Vapour Pressure | 0.00393mmHg at 25°C |
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| Index of Refraction | 1.575 |
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| InChIKey | RAZOKRUZEQERLH-UHFFFAOYSA-N |
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| SMILES | CC#CC#CC(=O)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MM3622000
- CHEMICAL NAME :
- 2,4-Hexadiynophenone
- CAS REGISTRY NUMBER :
- 495-74-9
- BEILSTEIN REFERENCE NO. :
- 1865168
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H8-O
- MOLECULAR WEIGHT :
- 168.20
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6980 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),297,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),297,1982
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Synonyms
| 1-phenylhexa-2,4-diyn-1-one |
| 1-Phenyl-2,4-hexadiyn-1-one |
| 2,4-HEXADIYNOPHENONE |
| 1-Phenyl-hexa-2,4-diin-1-on |
| Capillin |
| 1-phenyl-hexa-2,4-diyn-1-one |
| 2,4-Hexadiyn-1-one,1-phenyl |