4-클로로-3,4-디메틸페놀

4-클로로-3,4-디메틸페놀 · 4-클로로-3,5-다이메틸페놀 · 클로로크시레놀 · 4-클로로-3,5-다이메틸페놀(4-CHLORO-3,5-DIMETHYLPHENOL) · 클로로자일레놀 · 4-클로로-3,5-옥실레놀 · 클로록실레놀 · PCMX

https://huagongshe.com/ko/chemical/2723

식별자 및 물리적 특성

CAS No.	1321-23-9
분자식	C8H9ClO
평균 분자량	156.61 g/mol
단동위원소 질량	156.03419259 g/mol
SMILES	Cc1cc(O)cc(C)c1Cl
InChIKey	OSDLLIBGSJNGJE-UHFFFAOYSA-N
PubChem CID	2723
ChEMBL	CHEMBL398440
ChEBI	CHEBI:34393
EC No.	201-793-8
DTXSID	DTXSID0032316
현지명	4-클로로-3,4-디메틸페놀

화학 및 물리적 성질

XLogP	2
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	104
물질 분류	Other Uses -> Biocides/Disinfectants
의약품	Pharmaceuticals -> Listed in ZINC15
화장품	Cosmetic ingredients (Chloroxylenol) -> CIR (Cosmetic Ingredient Review)Preservative
pH	pH = 6.45 at 20 °C after dispersion in distilled water7 (0.2g/l, H2O)
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
향료	Fragrance Ingredient (Phenol, 4-chloro-3,5-dimethyl-) -> IFRA transparency List
LogP(분배 계수)	log Kow = 3.27
냄새	Phenolic odorwh. cryst. or cryst. powd., char. phenolic odor
밀도	0.89 g/ml at 20 °C0.67 g/cm3
Color/Form	Crystals from benzene
용해도	At 15 °C in petroleum ether, benzene, acetone, toluene, chloroform, isopropanol solubility of 0.5, 6.0, 58.0, 7.0, 6.2, 38.0 g/100mL, respectively. At 25 °C in isopropanol, 1 M NaOH and glycerine solubility of 50.0, 8.8 and 1.5, respectively.Soluble in ethanol, ether. Slightly soluble in benzene and pet ether.Soluble 1 part of 95% alcohol, ether, benzene, terpenes fixed oils, solutions of alkali and hydroxidesIn water, 2.5X10+2 mg/L at 20 °C메탄올: 가용성 1g/10mL, 투명하거나 희미하게 혼탁함, 무색 내지 매우 희미한 노란색
Corrosivity	At ambient temperature, a 25% solution of chloroxylenol in isopropanol is not corrosive to stainless steel or aluminum. Brass is slightly affected as is mild steel. Mild steel is slightly affected by isopropanol alone.
녹는점	114-116 °C(lit.)
끓는 점	246 °C
굴절률	1.5523 (estimate)
인화점	132 °C
저장 조건	2-8°C
pKa(산도 계수)	9.76±0.23(Predicted)
물리적 상태	결정질 분말 또는 결정
색상	흰색~밝은 베이지
용해도	0.3g/L(20℃)
Merck	14,2176
BRN	1862539
헨리 상수	1.9×101 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	항균 방부제항균탈취제
InChI	1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKey	OSDLLIBGSJNGJE-UHFFFAOYSA-N
SMILES	Cc1cc(O)cc(C)c1Cl
LogP(분배 계수)	3.270
NIST	Chloroxylenol(88-04-0)
EPA	4-Chloro-3,5-dimethylphenol (88-04-0)

화학적 성질

4-Chloro-3,5-dimethylphenol is white or cream crystalline powder with a characteristic odour

안전 및 규제

GHS 분류	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
규제 정보	Chemical: Phenol, 4-chloro-3,5-dimethyl-Phenol, 4-chloro-3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-chloro-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)Status: Active Update: 05-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26222Chloroxylenol: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Phenol, 4-chloro-3,5-dimethyl-: Human health tier II assessment
유해성 요약	Chloroxylenol is a very popular household and hospital disinfectant, and the authors have seen housekeepers who developed allergic contact dermatitis from this preservative in liquid soaps. [Marks, p. 141]
FDA 요건	Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: chloroxylenol is included in topical acne drug products.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: chloroxylenol is included in dandruff/seborrheic dermatitis/psoriasis drug products..Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: chloroxylenol is included in topical antifungal drug products.

용도

4-Chloro-3,5-dimethylphenol is an antiseptic and germicide. Chloroxylenol is used for mildew prevention. Chloroxylenol is also an antibacterial; antiseptic (topical and urinary).

일반 설명

The degradation of 4-chloro-3,5-dimethylphenol (PCMX) by Fenton-like process using nanoparticulate zero-valent iron (nZVI) and hydrogen peroxide (H2O2) was studied.

제조 및 합성 방법

생산 방법

Chloroxylenol is prepared by treating 3,5-dimethylphenol with chlorine or sulfuryl chloride (SO2Cl2).