Introduction：Basic information about CAS 91702-98-6|3-(Acetylsulfanyl)-2-benzylpropanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(Acetylsulfanyl)-2-benzylpropanoic acid |
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| CAS Number | 91702-98-6 | Molecular Weight | 238.303 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 387.9±30.0 °C at 760 mmHg |
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| Molecular Formula | C12H14O3S | Melting Point | 39 °C |
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| MSDS | / | Flash Point | 188.4±24.6 °C |
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Names
| Name | 2-[(Acetylthio)methyl]-3-phenylpropionic 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 | 387.9±30.0 °C at 760 mmHg |
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| Melting Point | 39 °C |
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| Molecular Formula | C12H14O3S |
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| Molecular Weight | 238.303 |
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| Flash Point | 188.4±24.6 °C |
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| Exact Mass | 238.066360 |
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| PSA | 79.67000 |
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| LogP | 2.12 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.577 |
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| InChIKey | BCAAXVOKLXDSPD-UHFFFAOYSA-N |
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| SMILES | CC(=O)SCC(Cc1ccccc1)C(=O)O |
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 3-(Acetylsulfanyl)-2-benzylpropanoic acid |
| MFCD00236751 |
| Benzenepropanoic acid, α-[(acetylthio)methyl]- |
| 2-[(Acetylthio)methyl]-phenylpropionic acid |
| 3-{2-[(Acetylsulfanyl)methyl]phenyl}propanoic acid |
| Benzenepropanoic acid, 2-[(acetylthio)methyl]- |
