3380-34-5
Product Name:
Triclosan
Formula:
C12H7Cl3O2
Synonyms:
5-Chloro-2-(2,4-dichlorophenoxy)phenol;Irgasan;Triclosan;Triclosan - CAS 3380-34-5 - Calbiochem
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to off-white crystalline powder; [HSDB] |
|---|---|
| Color/Form | White to off-white crystalline powder |
| Odor | Slight, faintly aromatic odor |
| Boiling Point | 120 °C |
| Melting Point | 55-57 °C |
| Solubility | In water, 10 mg/L at 20 °C |
| Vapor Pressure | 0.0000046 [mmHg] |
| LogP | log Kow = 4.76 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Dissociation Constants | 7.9 |
| Collision Cross Section | 159.97 Ų [M-H]- |
| Kovats Retention Index | 2114 |
| Other Experimental Properties | Discolors in contact with traces of heavy metals ... Under certain conditions such as higher alkalinity and heat, conversion to chlorinated dibenzo-p-dioxin can occur |
| Chemical Classes | Other Uses -> Biocides/Disinfectants |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 289.5 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 287.951163 g/mol |
| Monoisotopic Mass | 287.951163 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 252 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Triclosan is an aromatic ether that is phenol, which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste, and deodorants, as well as in household items such as plastic chopping boards, sports equipment, and shoes. It has a role as an antibacterial agent, a fungicide, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an antimalarial, an EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor, a xenobiotic, a persistent organic pollutant, and a drug allergen. It is a member of phenols, an aromatic ether, a dichlorobenzene, and a member of monochlorobenzenes.