2-(2-히드록시-5-메틸페닐)벤조트리아졸
Drometrizole
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기본 정보
- CAS
2440-22-4- 표준 SMILES
Cc1ccc(O)c(-n2nc3ccccc3n2)c1- InChIKey
MCPKSFINULVDNX-UHFFFAOYSA-N- 분자식
- C13H11N3O
- 평균 분자량
- 225.25 g/mol
- 단동위원소 질량
- 225.09021198
개요
Drometrizole is a member of triazoles.
이름 및 식별자
- 우선 이름
- Drometrizole
- IUPAC
- 2-(benzotriazol-2-yl)-4-methylphenol
- 현지명
- 2-(2-히드록시-5-메틸페닐)벤조트리아졸
- 영어명
- Drometrizole
- 분자식
- C13H11N3O
- 분자량
- 225.25
이름 및 동의어
Drometrizole2440-22-42-(2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOLE2-(2H-Benzotriazol-2-yl)-4-methylphenolDrometrizolDrometrizolum2-(2'-Hydroxy-5'-methylphenyl)benzotriazolePhenol, 2-(2H-benzotriazol-2-yl)-4-methyl-DTXSID10274795X93W9OFZLNSC-91885DTXCID207479
이름 더 보기
2-(2'-하이드록시-5'-메틸페닐)벤조트리아암모니아2-(2'-히드록시-5'-메틸페닐)벤조트리아암모니아2-(2-히드록시-5-메틸페닐)벤조트리아졸2-(2H-벤조트라이아졸-2-일)-4-메틸페놀2-2(-하이드록시-5-메틸페닐벤조트라이아졸드로메트리졸2-(2'-하이드록시-5'-메틸페닐)벤조트리아암모니아(2-(2'-HYDROXY-5'-METHYLPHENYL)B...페놀, 2-(2H-벤조트라이아졸-2-일)-4-메틸-UV-PUV-712-(2H-1,2,3-Benzotriazol-2-yl)-4-methylphenolBenazol IIRIASORB UV-P
219-470-5RefChem:590441607-063-9Benazol P2-(2H-Benzotriazol-2-yl)-p-cresolTinuvin P2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol2-(2-Benzotriazolyl)-p-cresol
데이터베이스 식별자
- CAS
2440-22-4- PubChem CID
- 17113
- DTXSID
DTXSID1027479- ChEMBL
CHEMBL1564747- ChEBI
CHEBI:134926- UNII
- 5X93W9OFZL
- EC Number
- 219-470-5、607-063-9
- Nikkaji
- J7.899I
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 50.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 259
실험 및 물리화학적 성질
Chemical ClassesUV filter
Polymers
Plastics -> Light stabilisers
Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; (E)PS
Plastics -> Other functions -> Other stabiliser
Cosmetics
Cosmetic ingredients (Drometrizole) -> CIR (Cosmetic Ingredient Review)
Uv absorber
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-) -> IFRA transparency List
LogP4.31
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder; Other Solid; Large Crystals
Collision Cross Section155.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1027479]
물리화학적 성질
- 녹는점
- 125.5 · 125.5-129.5 °C(lit.)
- 끓는 점
- 10 · bp10 225°
- 밀도
- 1.38 · 1.38
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.56 · 1.5600 (estimate)
- 인화점
- 54 °C · 54°C
- 저장 조건
- 15 · 15-25°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.15 · 8.15±0.43(Predicted)
- 색상
- 황백색에서 연한 노란색
- 수용성
- 173 μg/L · 173μg/L at 20℃
- Merck
- 14 · 14,3447
- 안정성
- 흡습성
- 화장품 원료 기능
- 자외선 흡수제
- InChI
- 1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
- InChIKey
- MCPKSFINULVDNX-UHFFFAOYSA-N
- SMILES
- Cc1ccc(O)c(c1)-n2nc3ccccc3n2
- LogP
- 4.2 at · 4.2 at 25℃
- NIST
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-(2440-22-4)
- EPA
- 2 · 2-(2H-Benzotriazol-2-yl)-p-cresol (2440-22-4)
화학적 성질
Light yellow powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (7 of 885) of reports.
Warning
H317 (97.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 885 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- 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-(2H-benzotriazol-2-yl)-p-cresol (EC: 219-470-5)
Drometrizole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (97.1%)
Skin sensitization - Category 1B
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GO6860000
- 독성
- LD50 oral in mouse: 6500mg/kg
- HS 번호
- 29339900
- risk_code
- 36/37/38-53-43
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37
- 기존화학 물질
- KE-02741
- Hazard Classifications
- Aquatic Chronic 1Skin Sens. 1B
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Drometrizole
Plastics -> Typical concentration range in plastic materials -> 0.0015 - 0.5%
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesOther
Industry UsesUV stabilizer
Household ProductsInformation on 1 consumer products that contain Drometrizole in the following categories is provided:
Use Classification
Fragrance Ingredients
Plastics -> Light stabilisers
Plastics -> Other functions -> Other stabiliser
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; (E)PS
Cosmetics -> Uv absorber
General Manufacturing Information
Transportation Equipment Manufacturing
Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-: ACTIVE
응용 분야
용도Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.
상·하류 제품 정보
하류 제품
추가 설명
정의Drometrizole is a member of triazoles.
관련 반응
52건
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