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Substance Name: Triclosan [USAN:USP:INN:BAN]
RN: 3380-34-5
UNII: 4NM5039Y5X
InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N

Note

  • A diphenyl ether derivative used in cosmetics and toilet soaps as an antiseptic. It has some bacteriostatic and fungistatic action.

Molecular Formula

  • C12-H7-Cl3-O2

Molecular Weight

  • 289.544
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antimetabolites
  • Disinfectant
  • Fatty Acid Synthesis Inhibitors
  • Hypolipidemic Agents
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Names and Synonyms

Name of Substance

  • 2,4,4'-Trichloro-2'-hydroxy diphenyl ether
  • 2,4,4'-Trichloro-2'-hydroxydiphenyl ether
  • 5-Chloro-2-(2,4-dichlorophenoxy)phenol
  • Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-
  • Triclosan
  • Triclosan [USAN:USP:INN:BAN]

MeSH Heading

  • Triclosan

Synonyms

  • 2,4,4'-Trichloro-2'-hydroxydiphenyl ether
  • 5-Chloro-2-(2,4-dichlorophenoxy)phenol
  • BRN 2057142
  • Caswell No. 186A
  • CCRIS 9253
  • CH 3565
  • Cloxifenolum
  • DP-300
  • EINECS 222-182-2
  • EPA Pesticide Chemical Code 054901
  • HSDB 7194
  • Irgasan
  • Irgasan DP300
  • Lexol 300
  • Neostrata Antibacterial Facial Cleanser
  • Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-
  • Phenyl ether, 2'-hydroxy-2,4,4'-trichloro-
  • Stri-Dex Cleansing Bar
  • Stri-Dex Face Wash
  • Triclosan
  • Triclosanum
  • Triclosanum [INN-Latin]
  • UNII-4NM5039Y5X

Systematic Names

  • Ether, 2'-hydroxy-2,4,4'-trichlorodiphenyl
  • Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-
  • Triclosan

Superlist Name

  • 5-Chloro-2-(2,4-dichlorophenoxy)phenol

Registry Numbers

CAS Registry Number

  • 3380-34-5

FDA UNII

  • 4NM5039Y5X

Other Registry Numbers

  • 112099-35-1
  • 1155174-27-8
  • 164325-69-3
  • 261921-78-2
  • 88032-08-0

System Generated Number

  • 0003380345

Structure Descriptors

InChI

InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H

InChIKey

XEFQLINVKFYRCS-UHFFFAOYSA-N

Smiles

Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 84mg/kg (84mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977.
mouse LD50 oral 4530mg/kg (4530mg/kg)   "Pesticides Symposia; Collection of Papers Presented at the Sixth & Seventh Inter-American Conferences on Toxicology and Occupational Medicine, Miami, FL," Miami, FL, J.L. Halos, 1968-70Vol. 6, Pg. 245, 1968/1970.
mouse LD50 subcutaneous 3800mg/kg (3800mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977.
rabbit LD50 skin 9300mg/kg (9300mg/kg)   Industrial Medicine and Surgery. Vol. 38, Pg. 64, 1969.
rat LD50 intraperitoneal 89mg/kg (89mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977.
rat LD50 intravenous 29mg/kg (29mg/kg)   Industrial Medicine and Surgery. Vol. 38, Pg. 64, 1969.
rat LD50 oral 3700mg/kg (3700mg/kg)   "Pesticides Symposia; Collection of Papers Presented at the Sixth & Seventh Inter-American Conferences on Toxicology and Occupational Medicine, Miami, FL," Miami, FL, J.L. Halos, 1968-70Vol. 6, Pg. 245, 1968/1970.
rat LD50 subcutaneous 3900mg/kg (3900mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 985, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54-57.3 deg C   EXP
log P (octanol-water) 4.76 (none)   EXP
Water Solubility 10 mg/L 20 EXP
Vapor Pressure 6.45E-07 mm Hg 25 EST
Henry's Law Constant 4.99E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.61E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.