Introduction：Basic information about CAS 505-75-9|8,10,12-Heptadecatriene-4,6-diyne-1,14-diol,(8E,10E,12E,14R)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 8,10,12-Heptadecatriene-4,6-diyne-1,14-diol,(8E,10E,12E,14R)- |
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| CAS Number | 505-75-9 | Molecular Weight | 258.35500 |
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| Density | 1.025g/cm3 | Boiling Point | 467.2ºC at 760mmHg |
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| Molecular Formula | C17H22O2 | Melting Point | 54ºC /(-)-form/; 67ºC /(+-)-form/ |
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| MSDS | / | Flash Point | 218.3ºC |
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Names
| Name | Cicutoxin |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.025g/cm3 |
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| Boiling Point | 467.2ºC at 760mmHg |
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| Melting Point | 54ºC /(-)-form/; 67ºC /(+-)-form/ |
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| Molecular Formula | C17H22O2 |
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| Molecular Weight | 258.35500 |
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| Flash Point | 218.3ºC |
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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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| Index of Refraction | 1.547 |
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| InChIKey | FQVNSJQTSOVRKZ-JNRDBWBESA-N |
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| SMILES | CCCC(O)C=CC=CC=CC#CC#CCCCO |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MI3950000
- CHEMICAL NAME :
- 8,10,12-Heptadecatriene-4,6-diyne-1,14-diol, (E,E,E)-(-)-
- CAS REGISTRY NUMBER :
- 505-75-9
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C17-H22-O2
- MOLECULAR WEIGHT :
- 258.39
- WISWESSER LINE NOTATION :
- QY3&1U2U2U2UU2UU4Q
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 48300 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 52,29S,1956
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 7 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 5360 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 52,29S,1956
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 61 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
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Safety Information
Customs
| HS Code | 2905399090 |
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| Summary | 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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Synonyms
| 8,10,12-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL |
| WATERHEMLOCKTOXIN |
| Cicutotoxin |
