2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
基本情報
- CAS
102577-46-8- 標準SMILES
COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1- InChIKey
UJRDRFZCRQNLJM-UHFFFAOYSA-N- 分子式
- C20H23N3O3
- 平均分子量
- 353.4 g/mol
名称と識別子
- 優先名称
- 2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
- IUPAC
- methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
- 英語名
- 3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
- 分子式
- C20H23N3O3
- 分子量
- 353.41
名称と別名
84268-33-7Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl esterDTXSID90364882-(3'-tert-butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazoleRefChem:1060963DTXCID7016488Tinuvin 1130104810-48-2Methyl 3-(3-(2H-benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl)propanoate102577-46-8UV-1130MFCD01743055
名称をさらに表示
Methyl3-[3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(2-methyl-2-propanyl)phenyl]propanoateHS-1130methyl 3-[3-(2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate634MC97D37Methyl 3-(3-tert-butyl-5-(2H-benzotriazol-2-yl)-4-hydroxyphenyl)propionateMethyl 3-(2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamateMethyl 3-[3-(2H-Benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl]propanoateSCHEMBL31360SCHEMBL29350844UNII-634MC97D37
データベース識別子
- CAS
102577-46-8- UNII
- 634MC97D37
- EC Number
- 400-820-2、600-603-4、672-710-4
- Nikkaji
- J661.254G
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 77.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 479
実験および物理化学的性質
Physical DescriptionOther Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.4% (16 of 473) of reports.
Warning
H317 (96.6%): 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 473 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 0.9% (1 of 112) of reports.
危険有害性情報
Regulatory Information
Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-.omega.-hydroxy-
Chemical: Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Status: Active Update: 05-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16213
Hazard Classes and Categories
Skin Sens. 1 (96.6%)
Aquatic Chronic 4 (99.1%)
Skin Sens. 1 (100%)
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesUV stabilizer
Industry UsesIntermediate
Household Products
Information on 14 consumer products that contain Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester in the following categories is provided:
Information on 29 consumer products that contain Poly(oxy-1,2-ethanediyl), alpha-(3-(3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxopropyl)-omega-hydroxy- in the following categories is provided:
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester: ACTIVE
Poly(oxy-1,2-ethanediyl), .alpha.-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-.omega.-hydroxy-: ACTIVE
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