1,1,1-Trichloropentan-2-yl acetate

Base Information

Chemical Name:1,1,1-Trichloropentan-2-yl acetate
CAS No.:80982-62-3
Molecular Formula:C₇H₁₁Cl₃O₂
Molecular Weight:233.522
Hs Code.:
NSC Number:158357
Mol file:80982-62-3.mol

Synonyms:1,1,1-trichloropentan-2-yl acetate;80982-62-3;1-(trichloromethyl)butyl acetate;2-Pentanol,1,1,1-trichloro-, 2-acetate;NSC158357;NSC-158357

Suppliers and Price of 1,1,1-Trichloropentan-2-yl acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-(TRICHLOROMETHYL)BUTYL ACETATE 95.00%
5MG
$ 503.83

Total 8 raw suppliers

Chemical Property of 1,1,1-Trichloropentan-2-yl acetate

Chemical Property:

Vapor Pressure:0.00367mmHg at 25°C
Melting Point:84 °C
Refractive Index:1.469
Boiling Point:280.9 °C at 760 mmHg
Flash Point:113.3 °C
PSA：26.30000
Density:1.282 g/cm³
LogP:3.08840
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:231.982463
Heavy Atom Count:12
Complexity:153

Purity/Quality:

99% ^*data from raw suppliers

1-(TRICHLOROMETHYL)BUTYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC(C(Cl)(Cl)Cl)OC(=O)C

Technology Process of 1,1,1-Trichloropentan-2-yl acetate

There total 3 articles about 1,1,1-Trichloropentan-2-yl acetate 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: 57.0%

: 67-66-3,8013-54-5
chloroform

: 13398-04-4
α-chloro-n-butyl acetate

: 80982-62-3
α-trichloromethyl-n-butyl acetate

Guidance literature:: With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 10 ℃; for 1h;
DOI:10.1007/BF00957939

Reference yield: 57.0%

: 67-66-3,8013-54-5
chloroform

: 29949-17-5
1,1-diacetoxybutane

: 80982-62-3
α-trichloromethyl-n-butyl acetate

Guidance literature:: With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; for 1h; Ambient temperature;
DOI:10.1016/S0040-4039(00)87684-4