2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

Base Information

Chemical Name:2-Methyl-4,5-trimethylene-4-isothiazolin-3-one
CAS No.:82633-79-2
Molecular Formula:C₇H₉NOS
Molecular Weight:155.221
Hs Code.:2934999090
European Community (EC) Number:407-630-9
UNII:H857315VPU
DSSTox Substance ID:DTXSID6032433
Nikkaji Number:J655.704J
Wikidata:Q27279753
Mol file:82633-79-2.mol

Synonyms:2-methyl-4,5-trimethylene-4-isothiazolin-3-one;2-MTI

Suppliers and Price of 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

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

Total 13 raw suppliers

Chemical Property of 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

Chemical Property:

Vapor Pressure:0.00758mmHg at 25°C
Boiling Point:268.7°Cat760mmHg
Flash Point:116.3°C
PSA：50.24000
Density:1.31g/cm³
LogP:0.93550
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:155.04048508
Heavy Atom Count:10
Complexity:222

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T,N
Statements: 25-41-43-50/53
Safety Statements: 22-26-36/37/39-45-60-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=O)C2=C(S1)CCC2
Description 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one (MTI) is a biocide which induced contact dermatitis in a laboratory technician also sensitive to BIT.

Technology Process of 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

There total 3 articles about 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one 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: 90.0%