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Name	Chloro-tert-butanol	EINECS	209-196-4
CAS No.	558-42-9	Density	1.058
PSA	20.23000	LogP	0.99610
Solubility	N/A	Melting Point	-20°C
Formula	C4H9 Cl O	Boiling Point	131 ºC at 760 mmHg
Molecular Weight	108.568	Flash Point	61 ºC
Transport Information	UN 1987	Appearance	CLEAR COLOURLESS TO YELLOW LIQUID
Safety	23-24/25	Risk Codes	R10
Molecular Structure		Hazard Symbols
Synonyms	1,1-Dimethyl-2-chloroethylalcohol; 1-Chloro-2-methyl-2-propanol; 2-Chloro-1,1-dimethylethanol;Chloro-tert-butyl alcohol; Isobutylene chlorohydrin; NSC 46574	Article Data	51

Chloro-tert-butanol Synthetic route

: 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 63196-87-2
1-benzylthio-2-methylpropene

C: 880-22-8
benzyl 3-methylbut-2-en-1-yl sulfide

D: 112425-40-8
4,4-dimethylisothiochroman

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given;	A 10% B 30% C 2% D 50%

: 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 63196-87-2
1-benzylthio-2-methylpropene

C: 112425-40-8
4,4-dimethylisothiochroman

D: 4,4,6-trimethylisothiochroman

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given;	A 10% B 30% C 50% D 2%

: 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 880-22-8
benzyl 3-methylbut-2-en-1-yl sulfide

C: 112425-40-8
4,4-dimethylisothiochroman

D: 4,4,6-trimethylisothiochroman

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given;	A 10% B 2% C 50% D 2%

: 563-47-3
3-Chloro-2-methylpropene

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With sulfuric acid; water for 2.5h; Ambient temperature;	44%
With sodium tetrahydroborate; mercury(II) diacetate Product distribution; 2.) EtOH, -4 to +4 deg C, 20 min;
With sulfuric acid at 5 - 10℃;

: 558-30-5
2-methyl-1,2-epoxypropane

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether

: 594-37-6
1,2-dichloro-2-methylpropane

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With water Hydrolysis;
With water; calcium carbonate Hydrolysis;
With water

: 513-37-1
2-methylprop-1-enyl chloride

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With sulfuric acid at -10 - 0℃;
With perchloric acid
With nitric acid

: 917-64-6
methyl magnesium iodide

: 105-39-5
chloroacetic acid ethyl ester

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
Destillation des Reaktionsprodukts unter Normaldruck;

: 75-16-1
methylmagnesium bromide

: 105-39-5
chloroacetic acid ethyl ester

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With diethyl ether

: 105-39-5
chloroacetic acid ethyl ester

: 78-95-5
chloroacetone

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
bei dieser Bildung ist Methylmagnesiumjodid nicht anwendbar;

Chloro-tert-butanol Chemical Properties

The molecular structure of 2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) is

IUPAC Name: 1-Chloro-2-methylpropan-2-ol
Canonical SMILES: CC(C)(CCl)O
Molecular Formula: C₄H₉ClO
Molecular Weight: 108.5667
EINECS: 209-196-4
Density: 1.048 g/cm³
Boiling Point: 131 ºC at 760 mmHg
Flash Point: 61 ºC
Appearance: Clear colourless to yellow liquid
Freely Rotating Bonds: 2
Polar Surface Area: 9.23 Å²
Index of Refraction: 1.433
Molar Refractivity: 26.93 cm³
Molar Volume: 103.5 cm³
Polarizability: 10.67 ×10^-24 cm³
Surface Tension: 29.6 dyne/cm
Enthalpy of Vaporization: 42.95 kJ/mol
Vapour Pressure: 4.2 mmHg at 25°C
The Cas Register Number of 2-Propanol,1-chloro-2-methyl- is 558-42-9. The chemical synonyms of 2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) are Chloro-tert-butanol ; Chloro-tert-butyl alcohol ; 1-Chloro-2-methylpropanol-2-ol ; 1-Chloro-2-methyl-2-propanol ; 2-Chloro-tert-butyl alcohol ; 1-chloro-2-methylpropan-2-ol ; 1-Chloro-2-methyl-2-propanol (intermediate of lercanidipine) ; 1-chloro-2-methyl-propan-ol . Product categories are Alcohols ; Chlorine Compounds .

Chloro-tert-butanol Uses

2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) is used aas intermediate of lercanidipine.

Chloro-tert-butanol Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 10
R10: Flammable.
Safety Statements: 23-23/25
R23: Toxic by inhalation.
R23/25: Toxic by inhalation and if swallowed.
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III

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