1-Chloro-3-(2-methylpropoxy)propan-2-ol

Base Information

• Chemical Name: 1-Chloro-3-(2-methylpropoxy)propan-2-ol
• CAS No.: 42314-08-9
• Molecular Formula: C7H15 Cl O2
• Molecular Weight: 166.648
• Hs Code.: 2909499000
• European Community (EC) Number: 255-757-1
• NSC Number: 86962
• DSSTox Substance ID: DTXSID401278208
• Nikkaji Number: J25.022H
• Mol file: 42314-08-9.mol

Synonyms:42314-08-9;1-Chloro-3-(2-methylpropoxy)propan-2-ol;EINECS 255-757-1;NSC86962;NCIOpen2_001077;1-Chloro-3-isobutoxy-2-propanol;DTXSID401278208;2-Propanol, 1-chloro-3-isobutoxy;NSC 86962;NSC-86962;AKOS006384449;1-Chloro-3-(2-methylpropoxy)-2-propanol

Chemical Property of 1-Chloro-3-(2-methylpropoxy)propan-2-ol

Chemical Property:

• Vapor Pressure: 0.0116mmHg at 25°C
• Boiling Point: 231.6°Cat760mmHg
• PKA: 13.24±0.20(Predicted)
• Flash Point: 93.9°C
• PSA: 29.46000
• Density: 1.04g/cm³
• LogP: 1.25870
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 166.0760574
• Heavy Atom Count: 10
• Complexity: 76

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COCC(CCl)O

Technology Process of 1-Chloro-3-(2-methylpropoxy)propan-2-ol

There total 2 articles about 1-Chloro-3-(2-methylpropoxy)propan-2-ol 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:

2-methyl-propan-1-ol (78-83-1) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-isobutoxy-propan-2-ol (42314-08-9)

Guidance literature:

at 140 ℃;

Reference yield:

→ 1-chloro-3-isobutoxy-propan-2-ol (42314-08-9)

Guidance literature:

i-Butanol, 1-Chloro-2,3-epoxypropan (I), in Ggw.v.BF3*(C2H5)2;

DOI:10.1002/kin.550050603

Reference yield:

1-chloro-3-isobutoxy-propan-2-ol (42314-08-9) → glycidyl isobutyl ether (3814-55-9)

Guidance literature:

With sodium hydroxide; for 10h; Ambient temperature;

upstream raw materials:

2-methyl-propan-1-ol

epichlorohydrin

Downstream raw materials:

glycerol-1-isobutyl ether-3-allyl ether

glycidyl isobutyl ether

3-isobutyloxy-1,2-propanediol

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