Introduction：Basic information about CAS 62559-74-4|methyl (2Z,5Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methyl (2Z,5Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hepta-2,5-dienoate |
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| CAS Number | 62559-74-4 | Molecular Weight | 470.47900 |
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| Density | 1.298g/cm3 | Boiling Point | 575.2ºC at 760 mmHg |
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| Molecular Formula | C24H29F3O6 | Melting Point | / |
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| MSDS | / | Flash Point | 301.7ºC |
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Names
| Name | methyl (2Z,5Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hepta-2,5-dienoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.298g/cm3 |
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| Boiling Point | 575.2ºC at 760 mmHg |
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| Molecular Formula | C24H29F3O6 |
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| Molecular Weight | 470.47900 |
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| Flash Point | 301.7ºC |
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| Exact Mass | 470.19200 |
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| PSA | 96.22000 |
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| LogP | 3.42480 |
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| Index of Refraction | 1.567 |
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| InChIKey | REFZGTXXBBUTMJ-YDQNNXAVSA-N |
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| SMILES | COC(=O)C=CCC=CCC1C(O)CC(O)C1C=CC(O)COc1cccc(C(F)(F)F)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MI5431500
- CHEMICAL NAME :
- 2,5-Heptadienoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)p henoxy)-1- butenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(2E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))-
- CAS REGISTRY NUMBER :
- 62559-74-4
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C24-H29-F3-O6
- MOLECULAR WEIGHT :
- 470.53
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 78 ug/kg
- SEX/DURATION :
- female 3-5 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,525,1980
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Synonyms
| (Z)-7-hexadecenoic acid |
| Hypogeic acid |
| C16:1 (7-Z) |
| cis-7-Hexadecenoic Acid |
| cis-7-Hexadecensaeure |
| cis-Hexadecen-(7)-saeure-(1) |
| cis-Hexadecen-(7)-saeure |
