Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀
2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀 · 2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀(2-(2H-BENZOTRIAZOL-... · 자외선흡수제UV-234 · UV-234 · TINUVIN 234 · TINUVIN 900 · UV-900 · UV ABSORBER 234
식별자 및 물리적 특성
| CAS No. | 70321-86-7 |
|---|---|
| 분자식 | C30H29N3O |
| 평균 분자량 | 447.6 g/mol |
| 단동위원소 질량 | 447.23106255 g/mol |
| SMILES | CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1 |
| InChIKey | OLFNXLXEGXRUOI-UHFFFAOYSA-N |
| PubChem CID | 112412 |
| ChEMBL | CHEMBL1892237 |
| EC No. | 274-570-6 |
| DTXSID | DTXSID2028985 |
| 현지명 | 2-(2H-벤조트리아졸-2-일)-4,6-비스(1-메틸-1-페닐에틸)-페놀 |
화학 및 물리적 성질
| XLogP | 8.6 |
|---|---|
| 극성 표면적 | 50.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 34 |
| 형식 전하 | 0 |
| 복잡도 | 652 |
| 물질 분류 | UV filter |
| Polymers | Plastics -> Light stabilisersPlastics -> Polyolefin-IPURPolyolefin-IIPVC (soft)ABSPVC (rigid)PETPMMAPAPC(E)PSPlastics -> Other functions -> Other stabiliser |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | LiquidOther SolidDry Powder |
| Collision Cross Section | 218.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2028985] |
| 녹는점 | 139-143 °C(lit.) |
| 끓는 점 | 589.3±60.0 °C(Predicted) |
| 밀도 | 1.12±0.1 g/cm3(Predicted) |
| 인화점 | 383 °F(lit.) |
| 저장 조건 | Refrigerator |
| 용해도 | H2O: <20 °C에서 <0.04 ppm, 불용성 |
| pKa(산도 계수) | 9+-.0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| 냄새 | 신선한 과일 라즈베리 로즈 |
| 용해도 | 불용성, 20°C에서 <0.04ppm |
| 헨리 상수 | 7.2×109 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3 |
| InChIKey | OLFNXLXEGXRUOI-UHFFFAOYSA-N |
| SMILES | C1(O)=C(C(C)(C2=CC=CC=C2)C)C=C(C(C)(C2=CC=CC=C2)C)C=C1N1N=C2C=CC=CC2=N1 |
| EPA | Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- (70321-86-7) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 39.1% (232 of 593) of reports.WarningH315 (12%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 593 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- 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/11135Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Phenolic benzotriazoles: Environment tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (12%) |
| 수질 위해 등급(WGK) | - |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-02736 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Benzotriazole BT is a low volatile benzotriazole UV light absorber and stabilizer.