Introduction：Basic information about CAS 111128-27-9|(2Z,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2Z,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol |
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| CAS Number | 111128-27-9 | Molecular Weight | 258.35500 |
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| Density | 1.025g/cm3 | Boiling Point | 458.7ºC at 760mmHg |
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| Molecular Formula | C17H22O2 | Melting Point | / |
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| MSDS | / | Flash Point | 213.8ºC |
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Names
| Name | (2Z,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.025g/cm3 |
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| Boiling Point | 458.7ºC at 760mmHg |
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| Molecular Formula | C17H22O2 |
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| Molecular Weight | 258.35500 |
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| Flash Point | 213.8ºC |
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| Exact Mass | 258.16200 |
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| PSA | 40.46000 |
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| LogP | 2.59530 |
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| Vapour Pressure | 2.42E-10mmHg at 25°C |
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| Index of Refraction | 1.547 |
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| InChIKey | UPXPHJXYZGEBCW-PFTJZPSUSA-N |
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| SMILES | CCCC(O)CCC=CC=CC#CC#CC=CCO |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MI3930000
- CHEMICAL NAME :
- 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, (Z,E,E)-
- CAS REGISTRY NUMBER :
- 111128-27-9
- LAST UPDATED :
- 198812
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H22-O2
- MOLECULAR WEIGHT :
- 258.39
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3030 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 22,507,1987
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Synonyms
| 14-Hydroxy-bupleurynol |
| (+)-Heptadeca-2t,8t,10t-trien-4,6-diin-1,14-diol,Oenanthotoxin |
| (+)-Heptadeca-2t,8t,10t-trien-4,6-diin-1,14-diol |
| Oenanthotoxin |
| (+)-heptadeca-2t,8t,10t-triene-4,6-diyne-1,14-diol |
| 2,8,10-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL,(Z,E,E) |
| Bupleurotoxin |
