1-Chloro-2-methyl-2-propanol

Base Information

• Chemical Name: 1-Chloro-2-methyl-2-propanol
• CAS No.: 558-42-9
• Molecular Formula: C4H9 Cl O
• Molecular Weight: 108.568
• Hs Code.: 2905590090
• European Community (EC) Number: 209-196-4
• NSC Number: 46574
• DSSTox Substance ID: DTXSID20204381
• Nikkaji Number: J3.829F
• Wikidata: Q72459536
• Mol file: 558-42-9.mol

Synonyms:1-Chloro-2-methyl-2-propanol;558-42-9;1-Chloro-2-methylpropan-2-ol;2-Propanol, 1-chloro-2-methyl-;1-chloro-2-methyl-propan-2-ol;Chloro-tert-butyl alcohol;Chloro-tert-butanol;EINECS 209-196-4;1-Chloro-tert-butyl alcohol;2-Chloro-tert-butyl Alcohol;NSC46574;1-chloro-2-isobutanol;1-CHLORO-2-METHYLPROPANOL-2-OL;1-Chlor-2-methylpropanol-2;1-Chloro-2-methylpropanol-2;SCHEMBL168273;1-chloro-2-methyl propan-2-ol;JNOZGFXJZQXOSU-UHFFFAOYSA-;DTXSID20204381;AMY10400;1-chloro-2-hydroxy-2-methylpropane;MFCD00021807;NSC 46574;NSC-46574;AKOS006221919;1-Chloro-2-methyl-2-propanol, 97%;AS-31087;CS-0030576;FT-0607603;EN300-93821;J-504500;F8880-7485

Chemical Property of 1-Chloro-2-methyl-2-propanol

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO YELLOW LIQUID
• Vapor Pressure: 4.2mmHg at 25°C
• Melting Point: -20°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 131 ºC at 760 mmHg
• PKA: 14.16±0.29(Predicted)
• Flash Point: 61 ºC
• PSA: 20.23000
• Density: 1.058
• LogP: 0.99610
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.0341926
• Heavy Atom Count: 6
• Complexity: 42.8

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-2-methyl-2-propanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: CC(C)(CCl)O
• Uses: 1-Chloro-2-methyl-2-propanol was used in the synthesis and characterization of new polyfunctional thiols.

Technology Process of 1-Chloro-2-methyl-2-propanol

There total 43 articles about 1-Chloro-2-methyl-2-propanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 44.0%

3-Chloro-2-methylpropene (563-47-3) → 3-chloro-2-methylpropan-2-ol (558-42-9)

Guidance literature:

With sulfuric acid; water; for 2.5h; Ambient temperature;

DOI:10.1021/jo952073k

Reference yield: 30.0%

4-hydroxy-4-methyl-1-phenyl-2-thiapentane (829-95-8) → 3-chloro-2-methylpropan-2-ol (558-42-9) + 1-benzylthio-2-methylpropene (63196-87-2) + benzyl 3-methylbut-2-en-1-yl sulfide (880-22-8) + 4,4-dimethylisothiochroman (112425-40-8)

Guidance literature:

aluminium trichloride; nitromethane; In carbon disulfide; for 40h; Further byproducts given; Ambient temperature;

Reference yield: 10.0%

4-hydroxy-4-methyl-1-phenyl-2-thiapentane (829-95-8) → 3-chloro-2-methylpropan-2-ol (558-42-9) + 1-benzylthio-2-methylpropene (63196-87-2) + 4,4-dimethylisothiochroman (112425-40-8) + 4,4,6-trimethylisothiochroman

Guidance literature:

aluminium trichloride; nitromethane; In carbon disulfide; for 40h; Further byproducts given; Ambient temperature;

upstream raw materials:

2-methyl-1,2-epoxypropane

1,2-dichloro-2-methylpropane

2-methylprop-1-enyl chloride

methyl magnesium iodide

Downstream raw materials:

3-hydroxy-3-methylbutyronitrile

1-(4-chloro-2-nitro-phenylsulfanyl)-2-methyl-propan-2-ol

(2,4-dinitro-phenylsulfanyl)-tert-butyl alcohol

1-Methoxy-2-methylpropan-2-ol

Refernces

• 1、 Pihlaja, Kalevi,Kiuru, Marja-Leena,Sippola, Anne. "Dehydrochlorination of 2-chloroethanol, 2-chloro-1-propanol, 1-chloro-2-propanol, 2-chloro-2-methyl-1-propanol and 1-chloro-2-methyl-2- propanol". . p. 120 - 133. Retrieved 2013/09/24.
• 2、 Barton, Derek H. R.,Jacob, Marc,Peralez, Eric. "A novel and efficient alkyl radical trap in aqueous medium". . p. 9201 - 9204. Retrieved 2007/10/03.