Introduction：Basic information about CAS 18127-01-0|Bourgeonal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bourgeonal |
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| CAS Number | 18127-01-0 | Molecular Weight | 190.281 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 265.1±9.0 °C at 760 mmHg |
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| Molecular Formula | C13H18O | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 115.8±10.2 °C |
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Names
| Name | 3-(4-tert-butylphenyl)propanal |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 265.1±9.0 °C at 760 mmHg |
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| Molecular Formula | C13H18O |
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| Molecular Weight | 190.281 |
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| Flash Point | 115.8±10.2 °C |
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| Exact Mass | 190.135757 |
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| PSA | 17.07000 |
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| LogP | 3.72 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.494 |
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| InChIKey | FZJUFJKVIYFBSY-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)c1ccc(CCC=O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DA8100070
- CHEMICAL NAME :
- Benzenepropanal, 4-(1,1-dimethylethyl)-
- CAS REGISTRY NUMBER :
- 18127-01-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C13-H18-O
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2700 mg/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: 26,287,1988
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- 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: 26,287,1988
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 22-43-51/53-62 |
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| Safety Phrases | 36/37-61 |
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| HS Code | 2912299000 |
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Customs
| HS Code | 2912299000 |
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| Summary | 2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 3-(4-tert-butylphenyl)propanal |
| Benzenepropanal, 4-(1,1-dimethylethyl)- |
| Bourgeonal |
| EINECS 242-016-2 |
| para-tert-butylhydrocinnamaldehyde |
| p-tert-Butylhydrocinnamic aldehyde |
| p-tert-Butyldihydrocinnamaldehyde |
| 3-[4-(2-Methyl-2-propanyl)phenyl]propanal |
