2,4-Dichloro-3,5-dimethylphenol
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Basic information
- CAS
133-53-9- Standard SMILES
Cc1cc(O)c(Cl)c(C)c1Cl- InChIKey
IYOLBFFHPZOQGW-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2O
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 189.9952203
Overview
Dichloroxylenol is a small molecule drug. Dichloroxylenol has a monoisotopic molecular weight of 190.0 Da.
Names & identifiers
- Preferred name
- 2,4-Dichloro-3,5-dimethylphenol
- IUPAC
- 2,4-dichloro-3,5-dimethylphenol
- English name
- 2,4-Dichloro-3,5-dimethylphenol
- Molecular formula
- C8H8Cl2O
- Molecular weight
- 191.05
Names & synonyms
2,4-Dichloro-3,5-dimethylphenolDichloroxylenol133-53-9DCMXDecaseptOttacidePrinsylDixolHewsolDicloroxilenolPhenol, 2,4-dichloro-3,5-dimethyl-2,4-DICHLORO-3,5-XYLENOL
Show more names
dxmcDICHLORO-m-XYLENOLTIMTEC-BB SBB005831
DicloroxilenoloDichlorxylenolumDichloroxylenolum3,5-Xylenol, 2,4-dichloro-DTXSID0041359NSC-97742,4-Dichloro-M,5-xylenol51AC49OLT7
Database identifiers
- CAS
133-53-9- PubChem CID
- 8621
- DTXSID
DTXSID0041359- ChEMBL
CHEMBL2104302- UNII
- 51AC49OLT7
- EC Number
- 205-109-9、682-356-2
- Nikkaji
- J5.587E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
CosmeticsDeodorant; Antimicrobial
Color/FormCRYSTALS FROM PETROLEUM ETHER
Solubility
IN WATER 1:5000
AT 15 °C IN 100 PARTS OF SOLVENT: 14 PARTS BENZENE; 15 PARTS TOLUENE; 73 PARTS ACETONE; 59 PARTS DIETHYL KETONE; 4 PARTS PETROLEUM ETHER; 10 PARTS CARBON TETRACHLORIDE; 25 PARTS CHLOROFORM
DecompositionSEE CHLORINATED PHENOLS. DANGEROUS; WHEN HEATED TO DECOMPOSITION, THEY EMIT HIGHLY TOXIC FUMES. /CHLORINATED PHENOLS/
Melting Point95-96 °C
Physical Description
Large Crystals
Solid; [Merck Index] White or cream colored crystalline powder; [MSDSonline]
Collision Cross Section135.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0041359]
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
Danger
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Hazard information
Regulatory Information
Chemical: Phenol, 2,4-dichloro-3,5-dimethyl-
Phenol, 2,4-dichloro-3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-dichloro-3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,4-dichloro-3,5-xylenol (EC: 205-109-9)
Phenol, 2,4-dichloro-3,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (93.8%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2430
- hs_code
- 2908190090
- risk_code
- 36/37/38
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
Uses
Used as a bacteriostat (in soaps), mold inhibitor, and preservative; [Merck Index] Not produced in the US; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
BACTERIOSTAT IN SOAPS; MOLD INHIBITOR & PRESERVATIVE
BACTERICIDE IN DISINFECTANT PRODUCTS (DISCONTINUED USE)
MEDICATION
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2020: 44,092 lb
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumer UsesPreservative
Industry UsesPreservative
Methods of ManufacturingLESSER, GAD, BER 56, 963 (1923); JONES, J CHEM SOC 1941, 267; GEMMEL, MFG CHEMIST 23, 63 (1952).
Use ClassificationCosmetics -> Deodorant; Antimicrobial
General Manufacturing Information
Paint and Coating Manufacturing
Phenol, 2,4-dichloro-3,5-dimethyl-: ACTIVE
THE CHLORO-M-XYLENOLS (R= H) & (R= CL) HAVE ANTIINFLAMMATORY ACTIVITIES SUPERIOR TO THAT OF ASPIRIN & ARE FREE FROM ULCERATIVE SIDE-EFFECTS.
Applications
Description2, 4-Dichloro-3, 5-Xylenol (DCMX), is a white to light yellow flake. DCMX is a secure and efficient antiseptic. It’s slightly soluble in water (20oC, 0.2g/L), very soluble in organic solvents such as alcohol, ether, ketone, etc., and dissolves in solutions of alkali hydroxides. It’s frequently used in industry fields such as personal care products such as hand-cleaning detergent, soap, dandruff control shampoo, and healthy products, such as film, glue water, oiled, textile, paper making, etc.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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