Introduction：Basic information about CAS 13401-56-4|3-Chloro-2,2-dimethyl-1-propanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Chloro-2,2-dimethyl-1-propanol |
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| CAS Number | 13401-56-4 | Molecular Weight | 122.593 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 163.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C5H11ClO | Melting Point | 34-36 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 71.1±0.0 °C |
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Names
| Name | 3-Chloro-2,2-dimethyl-1-propanol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 163.5±0.0 °C at 760 mmHg |
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| Melting Point | 34-36 °C(lit.) |
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| Molecular Formula | C5H11ClO |
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| Molecular Weight | 122.593 |
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| Flash Point | 71.1±0.0 °C |
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| Exact Mass | 122.049843 |
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| PSA | 20.23000 |
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| LogP | 1.20 |
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| Vapour Pressure | 0.7±0.6 mmHg at 25°C |
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| Index of Refraction | 1.439 |
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| InChIKey | CAZPRAORHCOIHC-UHFFFAOYSA-N |
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| SMILES | CC(C)(CO)CCl |
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Safety Information
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| HS Code | 2905590090 |
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Customs
| HS Code | 2905590090 |
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| Summary | 2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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| Combinatorial synthesis and screening of novel odorants such as polyfunctional thiols. Comb. Chem. High Throughput Screen 9(8) , 583-90, (2006) Combinatorial chemistry was shown to be an efficient tool for the preparation of new aroma-impact compounds. In this case, polyfunctional thiols were synthesized quickly using halide reagents or Bunte... | |
| 2, 4, 6-Tri (2'-chloro-1', 1'-dimethylethyl)-s-trioxane: Synthesis, Spectroscopy and Crystal Structure. Tarbutton GL and Valente EJ. J. Chem. Crystallogr. 40(2) , 126-9, (2010)
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Synonyms
| 3-Chloro-2,2-dimethyl-1-propanol |
| EINECS 236-488-9 |
| 1-Propanol, 3-chloro-2,2-dimethyl- |
| 3-chloro-2,2-dimethylpropan-1-ol |
| 2-Chloromethyl-2-methyl-1-propanol |
| MFCD00004684 |
