Introduction：Basic information about CAS 56531-69-2|1-(p-Tolyl)-3-adamantanecarboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(p-Tolyl)-3-adamantanecarboxylic acid |
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| CAS Number | 56531-69-2 | Molecular Weight | 270.366 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 424.3±24.0 °C at 760 mmHg |
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| Molecular Formula | C18H22O2 | Melting Point | / |
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| MSDS | / | Flash Point | 197.4±17.6 °C |
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Names
| Name | 3-(4-Methylphenyl)adamantane-1-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 424.3±24.0 °C at 760 mmHg |
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| Molecular Formula | C18H22O2 |
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| Molecular Weight | 270.366 |
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| Flash Point | 197.4±17.6 °C |
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| Exact Mass | 270.161987 |
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| PSA | 37.30000 |
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| LogP | 4.49 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.615 |
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| InChIKey | UWPMIBVQZDSYNA-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C23CC4CC(CC(C(=O)O)(C4)C2)C3)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AU4454500
- CHEMICAL NAME :
- 3-Adamantanecarboxylic acid, 1-(p-tolyl)-
- CAS REGISTRY NUMBER :
- 56531-69-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H22-O2
- MOLECULAR WEIGHT :
- 270.40
- WISWESSER LINE NOTATION :
- L 66 B6/B-H/DI A B- C 1B ITJ AVQ CR D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 610 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 43,73,1980
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Safety Information
Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Tricyclo[3.3.1.1]decane-1-carboxylic acid, 3-(4-methylphenyl)-, (5R,7S)- |
| 1-(p-Tolyl)-3-adamantanecarboxylic acid |
| 1-(p-tolyl)-3-adamantanecarboxylicaci |
| (1s,3r,5R,7S)-3-(4-Methylphenyl)-1-adamantanecarboxylic acid |
| tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid,3-(4-methy |
