Introduction:Basic information about CAS 91-51-0|methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate |
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| CAS Number | 91-51-0 | Molecular Weight | 337.45500 |
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| Density | 0.99g/cm3 | Boiling Point | 471.8ºC at 760mmHg |
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| Molecular Formula | C22H27NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 171.9ºC |
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Names
| Name | methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.99g/cm3 |
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| Boiling Point | 471.8ºC at 760mmHg |
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| Molecular Formula | C22H27NO2 |
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| Molecular Weight | 337.45500 |
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| Flash Point | 171.9ºC |
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| Exact Mass | 337.20400 |
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| PSA | 38.66000 |
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| LogP | 5.35180 |
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| Index of Refraction | 1.523 |
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| InChIKey | RBAUBIIMPLZNGC-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1ccccc1N=CC(C)Cc1ccc(C(C)(C)C)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CB2559200
- CHEMICAL NAME :
- Anthranilic acid, N-(3-(p-tert-butylphenyl)-2-methylpropylidene)-, methyl ester
- CAS REGISTRY NUMBER :
- 91-51-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C22-H27-N-O2
- MOLECULAR WEIGHT :
- 337.50
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,729,1982 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,729,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,729,1982
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Synonyms
| Verdantiol |
| EINECS 202-073-6 |
| Lilial-methylanthranilate,Schiff's base |