ChemicalBook--->CAS DataBase List--->13401-56-4

13401-56-4

13401-56-4 Structure

13401-56-4 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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
[Storage Class]

10 - Combustible liquids
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-2,2-dimethyl-1-propanol(13401-56-4)MS
3-Chloro-2,2-dimethyl-1-propanol(13401-56-4)1HNMR
3-Chloro-2,2-dimethyl-1-propanol(13401-56-4)13CNMR
3-Chloro-2,2-dimethyl-1-propanol(13401-56-4)IR1
3-Chloro-2,2-dimethyl-1-propanol(13401-56-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

13401-56-4(sigmaaldrich)
[TCI AMERICA]

3-Chloro-2,2-dimethyl-1-propanol,>98.0%(GC)(13401-56-4)
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