2,4-Dichloro-3,5-dimethylphenol
DCMX · DICHLOROXYLENOL · dxmc · dixol · hewsol · Prinsyl · ottacide · decasept
식별자 및 물리적 특성
| CAS No. | 133-53-9 |
|---|---|
| 분자식 | C8H8Cl2O |
| 평균 분자량 | 191.05 g/mol |
| 단동위원소 질량 | 189.9952203 g/mol |
| SMILES | Cc1cc(O)c(Cl)c(C)c1Cl |
| InChIKey | IYOLBFFHPZOQGW-UHFFFAOYSA-N |
| PubChem CID | 8621 |
| ChEMBL | CHEMBL2104302 |
| EC No. | 205-109-9 |
| DTXSID | DTXSID0041359 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 140 |
| 물질 분류 | Other Uses -> Biocides/Disinfectants |
| 화장품 | DeodorantAntimicrobial |
| Color/Form | CRYSTALS FROM PETROLEUM ETHER |
| 용해도 | IN WATER 1:5000AT 15 °C IN 100 PARTS OF SOLVENT: 14 PARTS BENZENE15 PARTS TOLUENE73 PARTS ACETONE59 PARTS DIETHYL KETONE4 PARTS PETROLEUM ETHER10 PARTS CARBON TETRACHLORIDE25 PARTS CHLOROFORM |
| Decomposition | SEE CHLORINATED PHENOLS. DANGEROUSWHEN HEATED TO DECOMPOSITION, THEY EMIT HIGHLY TOXIC FUMES. /CHLORINATED PHENOLS/ |
| 녹는점 | 95-96 °C91-96 °C |
| Physical Description | Large CrystalsSolid[Merck Index] White or cream colored crystalline powder[MSDSonline] |
| Collision Cross Section | 135.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0041359] |
| Other Experimental Properties | SUBLIMES |
| 끓는 점 | 273.74°C (rough estimate) |
| 밀도 | 1.2559 (rough estimate) |
| 굴절률 | 1.5605 (estimate) |
| 인화점 | 138°C |
| pKa(산도 계수) | 8.30±0.28(Predicted) |
| 물리적 상태 | powder to crystal |
| 색상 | White to Light yellow to Light red |
| Merck | 14,3076 |
| BRN | 2209273 |
| 화장품 원료 기능 | 탈취제항균 |
| InChI | InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3 |
| InChIKey | IYOLBFFHPZOQGW-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(C)=C(Cl)C(C)=C1Cl |
| EPA | 2,4-Dichloro-3,5-dimethylphenol (133-53-9) |
화학적 성질
light beige powder
안전 및 규제
| GHS 분류 | DangerH302 (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.H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
|---|---|
| 규제 정보 | 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 |
| 유해성 요약 | An irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (93.8%) |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2430 |
| 관세 코드 | 2908190090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37/39-26 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 유해 물질 데이터 | 133-53-9(Hazardous Substances Data) |
용도
개요
2, 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.
용도
2,4-Dichloro-3,5-dimethylphenol is used as a preservative in aqueous functional fluids and as a microbicide in disinfectants, but in comparison with PCMX (38) is of lesser importance because it has a more intense smell and is less soluble in water.
용도
Bacteriostat in soaps; mold inhibitor, preservative.
제조 및 합성 방법
제조 방법
2,4-Dichloro-3,5-dimethylphenol is obtained by reaction of 4-chloro-3,5-dimethylphenol with N-chloroacetamide in glacial acetic acid with concentrated HCl.
생산 방법
2,4-Dichloro-3,5-dimethylphenol is obtained by reaction of 4-chloro-3,5-dimethylphenol with N-chloroacetamide in glacial acetic acid with concentrated HCl. It is used as a preservative in aqueous functional fluids and as a microbicide in disinfectants, but in comparison with 4-Chloro-3,5-Dimethylphenol is of lesser importance because it has a more intense smell and is less soluble in water.