Kathon
기본 정보
- CAS
55965-84-9- 표준 SMILES
Cn1sc(Cl)cc1=O.Cn1sccc1=O- InChIKey
QYYMDNHUJFIDDQ-UHFFFAOYSA-N- 분자식
- C8H9ClN2O2S2
- 평균 분자량
- 264.8 g/mol
개요
industrial biocide & cosmetic preservative formulation; contains methylcholoro-isothiazolinone and methylcholoroisothiazolinone
이름 및 식별자
- 우선 이름
- Kathon
- IUPAC
- 5-chloro-2-methyl-1,2-thiazol-3-one;2-methyl-1,2-thiazol-3-one
- 영어명
- Methylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT)
- 분자식
- C4H5NOS.C4H4ClNOS
- 분자량
- 264.75
이름 및 동의어
55965-84-9Kathon 886Kathon LX15O9QS218W3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazoloneKathon 886 biocideMBC-215RefChem:151011KathonKathon biocideKathon CGKathon 886MW
이름 더 보기
Isothiazolinone chloride5-Chloro-2-methyl-3(2H)-isothiazolone with 2-methyl-3(2H)-isothiazoloneCon WTNeoCideSidchem 715CMIT/MIT 1.5CGCMIT/MIT B/PLUSCMI/MI Kathon 886
Zonen FProClin 3002-Methylisothiazol-3(2H)-one compound with 5-chloro-2-methylisothiazol-3(2H)-one(14%in H2O)2-Methylisothiazol-3(2H)-one compound with 5-chloro-2-methylisothiazol-3(2H)-one5-chloro-2-methyl-1,2-thiazol-3-one;2-methyl-1,2-thiazol-3-oneBio-Perge5-Chloro-2-methyl-3(2H)-isothiazolone mixt. with 2-methyl-3(2H)-isothiazoloneKathon WT
데이터베이스 식별자
- CAS
55965-84-9- PubChem CID
- 41679
- ChEMBL
CHEMBL108095- EC Number
- 611-341-5、911-418-6、932-593-5
물성
구조 계산 물성
- 극성 표면적
- 91.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3(2H)_-_Isothiazolone, 5-_chloro-_2-_methyl-_, mixt. with 2-_methyl-_3(2H)_-_isothiazolone) -> IFRA transparency List
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 100.1 ℃ · 100.1℃ at 101.325kPa
- 밀도
- 20 · d20 1.19
- 증기압
- 0.003 · 0.003-17Pa at 20-45℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly), Water
- 물리적 상태
- 액체
- 색상
- Colorless to light yellow
- 수소이온지수(pH)
- 3.43 at · 3.43 at 20℃ and 10g/L
- InChI
- InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3
- InChIKey
- QYYMDNHUJFIDDQ-UHFFFAOYSA-N
- SMILES
- O=C1C=C(SN1C)Cl.O=C1C=CSN1C
- LogP
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1945) of reports.
Danger
H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone 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: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23870
Mixture of methylchloroisothiazolinone and methylisothiazolinone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationPEC / SN / Other assessments - Common skin sensitisersâhazard classification: Health
Hazard Classes and Categories
Acute Tox. 3 (99.8%)
Acute Tox. 3 (100%)
Acute Tox. 4 (100%)
Acute toxicity (inhalation) - category 2
Acute Tox. 2
안전 데이터
- 독성
- LD50 (mg/kg) orally in rabbits: 30; i.p. in male, female rats: 4.6, 4.3; LC50 (6 day) in trout, sunfish (mg/l): 0.14, 0.54; LC50 (8 day dietary) in Bobwhite quail, Peking duck (mg/kg/day): >60, >100 (J. Am. Coll. Toxicol.)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
용도 및 제조
U.S. Production2023: <50,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 63 consumer products that contain Kathon biocide in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationNot Known or Reasonably Ascertainable
응용 분야
개요CMIT / MIT 혼합물은 활성 성분의 혼합물에 기초한 이소 티아 졸리 논 유도 살 생물 제이다 : 5- 클로로 -2- 메틸 -2H- 이소 티아 졸 -3- 온 및 2- 메틸 -2H- 이소 티아 졸 -3- 온 (CMIT / MIT)을 3 : 1의 비율로 포함하는 것 인 방법.
용도CMIT / MIT 혼합물은 산업 및 가정용 응용 프로그램의 미생물 성장 과정 수를 제어하는 데 사용할 수 있습니다. 그람 양성균과 그람 음성균, 효모 및 진균류에 효과적입니다.
개요Kathon 886 metalwork fluid is a mixture of the two isothiazoliones contained in Kathon CG, at a 13.9% concentration. It is mainly contained in metalwork fluids. As an active component of Aigezid Ⅱ and contained in a water bath used for phtotographic development, it caused contact dermatitis in a photograph developer.
용도Antimicrobial preservative in cosmetics, hygeine products, paints, emulsions, cutting oils, paper coatings, and water storage and cooling units.
관련 반응
2건
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