5-Chloro-2-methyl-4-isothiazolin-3-one
- Product Name5-Chloro-2-methyl-4-isothiazolin-3-one
- CAS26172-55-4
- CBNumberCB4132565
- MFC4H4ClNOS
- MW149.6
- EINECS247-500-7
- MDL NumberMFCD00792550
- MOL File26172-55-4.mol
Chemical Properties
| Melting point: | 52 °C (126 °F; 325 K) |
| Boiling point: | 109.7°C |
| Density | 1.02 g/cm3 |
| refractive index | n |
| Flash point: | Not applicable |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated) |
| pka | -4.06±0.40(Predicted) |
| form | solid |
| color | white |
| Odor | Pungent aromatic odor |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| Major Application | pharmaceutical (small molecule) |
| Cosmetics Ingredients Functions | PRESERVATIVE |
| Cosmetic Ingredient Review (CIR) | 5-Chloro-2-methyl-4-isothiazolin-3-one (26172-55-4) |
| InChI | InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3 |
| InChIKey | DHNRXBZYEKSXIM-UHFFFAOYSA-N |
| SMILES | S1C(Cl)=CC(=O)N1C |
| LogP | 0.240 (est) |
| CAS DataBase Reference | 26172-55-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Chloro-2-methyl-3(2h)-isothiazolone(26172-55-4) |
| EPA Substance Registry System | 5-Chloro-2-methyl-4-isothiazolin-3-one (26172-55-4) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H317-H319-H412 |
| Precautionary statements | P261-P264-P273-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | C,N,T,Xn |
| Risk Statements | 34-43-50-20/21/22-50/53-23/24/25-42/43 |
| Safety Statements | 26-36/37/39-45-60-61-24-28-36/37-23 |
| RIDADR | UN 1760 8/PG 2 |
| WGK Germany | 1 |
| RTECS | NX8156850 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 2934999090 |
| Storage Class | 12 - Non Combustible Liquids |
| Hazard Classifications |
Aquatic Chronic 3 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |
| Hazardous Substances Data | 26172-55-4(Hazardous Substances Data) |