Thymol Iodide
Basic information
- CAS
552-22-7- Standard SMILES
Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C- InChIKey
SHOKWSLXDAIZPP-UHFFFAOYSA-N- Molecular formula
- C20H24I2O2
- Average molar mass
- 550.2 g/mol
- Monoisotopic mass
- 549.98658
Names & identifiers
- Preferred name
- Thymol Iodide
- IUPAC
- [4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] hypoiodite
- English name
- THYMOL IODIDE
- Molecular formula
- C20H24I2O2
- Molecular weight
- 550.21
Names & synonyms
THYMOL IODIDE552-22-7IodothymolIodistolIodohydromolAnnidalinIothymolLothymolThymiodeThymiodolThymodinThymotol
Show more names
AristolIodosolIosolDiiododithymolBithymol diiodideDithymol diiodideIodothymol (VAN)Thymol iodide [NF]
Database identifiers
- CAS
552-22-7- PubChem CID
- 11088
- DTXSID
DTXSID3046081- ChEMBL
CHEMBL1482931- UNII
- A51HJM3XSU
- EC Number
- 209-007-5
- Nikkaji
- J6.718K
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
OdorSLIGHT AROMATIC ODOR
Color/Form
REDDISH-BROWN OR REDDISH-YELLOW BULKY POWDER
RED-BROWN CRYSTALS
SolubilityREADILY SOL IN CHLOROFORM, ETHER, COLLODION, FIXED & VOLATILE OILS; SLIGHTLY SOL IN ALCOHOL; INSOL IN ALKALINE SOLN, WATER, GLYCEROL
Physical DescriptionReddish-brown or reddish-yellow solid; [HSDB]
Stability/Shelf LifeLOSES IODINE ON PROLONGED EXPOSURE TO LIGHT
Other Experimental PropertiesLEAVES A SLIGHT RESIDUE IN CHLOROFORM, ETHER, COLLODION & IN FIXED & VOLATILE OILS; GIVES OFF PURPLE IODINE VAPORS WHEN HEATED ABOVE 100 °C
Physicochemical properties
- Boiling point
- 479 · 479.0±55.0 °C(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Hypoiodous acid, 2,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl ester
REACH registered substance: 5,5'-diisopropyl-2,2'-dimethylbiphenyl-4,4'-diyl dihypoiodite (EC: 209-007-5)
Hypoiodous acid, 2,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryEstimated lethal oral dose = 1 ounce to 1 pint for a 150 lb. person; [HSDB] May cause irritation; [MSDSonline] See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesAcute Tox. 4 (95.6%)
Safety & protection
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)
Toxicology
Human Toxicity ExcerptsSEE THYMOL. PRODUCES GASTRIC PAIN, NAUSEA, VOMITING, CENTRAL HYPERACTIVITY...OCCASIONALLY CONVULSIONS, COMA, CARDIAC & RESP COLLAPSE. /THYMOL/
Chemistry & industry
Uses & manufacturing
Uses
Used as an antifungal drug and antiseptic; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
MEDICATION: ANTIFUNGAL, ANTI-INFECTIVE AGENT; MEDICATION (VET): HAS BEEN USED EXTERNALLY AS ANTISEPTIC
Methods of ManufacturingMADE BY TREATING SOLN OF THYMOL IN SODIUM HYDROXIDE SOLN WITH IODINE-POTASSIUM IODIDE SOLN: MESSINGER, VORTMANN, GERMAN PATENTS 49,739; 52,828; 52,833; BER 22, 2312 (1889).
Formulations/Preparations/THYMOL IODIDE IS/ A MIXTURE OF IODINE DERIVATIVES OF THYMOL, PRINCIPALLY DITHYMOL DIIODIDE. THE OFFICIAL PREPARATION CONTAINS NOT LESS THAN 43% IODINE, WHEN DRIED OVER SULFURIC ACID FOR 18 HOURS.
General Manufacturing InformationHypoiodous acid, I,I'-[2,2'-dimethyl-5,5'-bis(1-methylethyl)[1,1'-biphenyl]-4,4'-diyl] ester: ACTIVE
Applications
UsesFeed additive, antifungal agent.
UsesThymol iodide is a dithymol diiodide compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…