기본 정보
- 표준 SMILES
Cc1ccc(O)c(-n2nc3ccccc3n2)c1- InChIKey
MCPKSFINULVDNX-UHFFFAOYSA-N- 분자식
- C13H11N3O
- 평균 분자량
- 225.25 g/mol
- 단동위원소 질량
- 225.09021198
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
이름 더 보기
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 물성
- 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
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
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];H410 (47%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H413 (46%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
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.;Reported as not meeting GHS hazard criteria per 7 of 885 reports by companies.;There are 18 notifications provided by 878 of 885 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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)
Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300
Drometrizole: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (97.1%);Aquatic Chronic 1 (47%);Aquatic Chronic 4 (46%)
Skin sensitization - Category 1B;Specific target organ toxicity - Single exposure - Category 1 (respiratory organs);Specific target organ toxicity - Repeated exposure - Category 2 (kidney);Hazardous to the aquatic environment (Long-term) - Category 1
독성 정보
규제 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)
Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300
Drometrizole: Does not have an individual approval but may be used under an appropriate group standard
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%
Use Classification
Fragrance Ingredients
Plastics -> Light stabilisers
Plastics -> Other functions -> Other stabiliser
Cosmetics -> Uv absorber
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; (E)PS
General Manufacturing Information
Transportation Equipment Manufacturing;Plastics Product Manufacturing;Synthetic Rubber Manufacturing;Adhesive Manufacturing;Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Printing Ink 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
공급사50 곳
추가 설명
정의Drometrizole is a member of triazoles.
관련 반응
연결된 노트
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