Introduction：Basic information about CAS 517-18-0|methallenestril, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methallenestril |
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| CAS Number | 517-18-0 | Molecular Weight | 286.36500 |
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| Density | 1.108g/cm3 | Boiling Point | 437ºC at 760mmHg |
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| Molecular Formula | C18H22O3 | Melting Point | 139-140ºC |
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| MSDS | / | Flash Point | 154.7ºC |
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Names
| Name | methallenestril |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.108g/cm3 |
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| Boiling Point | 437ºC at 760mmHg |
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| Melting Point | 139-140ºC |
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| Molecular Formula | C18H22O3 |
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| Molecular Weight | 286.36500 |
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| Flash Point | 154.7ºC |
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| Exact Mass | 286.15700 |
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| PSA | 46.53000 |
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| LogP | 4.45280 |
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| Index of Refraction | 1.572 |
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| InChIKey | KHLJKRBMZVNZOC-UHFFFAOYSA-N |
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| SMILES | CCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- QK0302500
- CHEMICAL NAME :
- 2-Naphthalenepropionic acid, beta-ethyl-6-methoxy-alpha,alpha-dimethyl-
- CAS REGISTRY NUMBER :
- 517-18-0
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C18-H22-O3
- MOLECULAR WEIGHT :
- 286.40
- WISWESSER LINE NOTATION :
- L66J CY2&X1&1&VQ HO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 175 ug/kg
- SEX/DURATION :
- female 35 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year: 63,561,1958
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 75 ug/kg
- SEX/DURATION :
- female 30 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - uterus, cervix, vagina
- REFERENCE :
- RPHRA6 Recent Progress In Hormone Research. Proceedings of the Laurentian Hormone Conference. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1947- Volume(issue)/page/year: 20,395,1964
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Synonyms
| 3-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-pentanoic acid |
| 3-(6-methoxy-2-naphthyl)-2,2-dimethyl-valeric acid |
