| Identification | More | [Name]
3-Chloro-2,2-dimethyl-1-propanol | [CAS]
13401-56-4 | [Synonyms]
2-CHLOROMETHYL-2-METHYL-1-PROPANOL
3-CHLORO-2,2-DIMETHYL-1-PROPANOL
1-Propanol, 3-chloro-2,2-dimethyl-
3-chloro-2,2-dimethylpropan-1-ol
3-Chloro-2,2-Dimethyl-1-Propan
NISTC13401564
3-CHLORO-2,2-DIMETHYL-1-PROPANOL 98+%
2,2-Dimethyl-3-chloro-1-propanol | [EINECS(EC#)]
236-488-9 | [Molecular Formula]
C5H11ClO | [MDL Number]
MFCD00004684 | [Molecular Weight]
122.59 | [MOL File]
13401-56-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
34-36 °C (lit.) | [Boiling point ]
87 °C/35 mmHg (lit.) | [density ]
0.9778 (rough estimate) | [refractive index ]
n20/D 1.45(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to lump to clear liquid | [pka]
14.77±0.10(Predicted) | [color ]
White or Colorless to Almost white or Almost colorless | [FreezingPoint ]
32.0 to 35.0 ℃ | [InChI]
InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3 | [InChIKey]
CAZPRAORHCOIHC-UHFFFAOYSA-N | [SMILES]
C(O)C(C)(C)CCl | [CAS DataBase Reference]
13401-56-4(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Chloro-2,2-dimethyl-1-propanol(13401-56-4) | [EPA Substance Registry System]
13401-56-4(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HS Code ]
2905599890 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow liquid | [Uses]
3-Chloro-2,2-dimethyl-1-propanol has been used in combinatorial preparation of new aroma-impact compounds such as polyfunctional thiols. | [General Description]
3-Chloro-2,2-dimethyl-1-propanol undergoes oxidation with pyridinium chlorochromate to yield 3-chloro-2,2-dimethylpropanal which spontaneously trimerizes to s-trioxane. |
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