セスキ(ベンゾトリアゾリルT-ブチルヒドロキシフェニルプロピオン酸)PEG-6

2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole

HCID 93481

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 104810-48-2
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
単同位体質量: 353.1739416

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
現地名: セスキ(ベンゾトリアゾリルT-ブチルヒドロキシフェニルプロピオン酸)PEG-6
英語名: Tinuvin-1130
分子式: (C2H4O)nC19H21N3O3
分子量: 0

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

セスキ(ベンゾトリアゾリルT-ブチルヒドロキシフェニルプロピオン酸)PEG-6UV5050UV 5151TINUVIN 213UV 1130 / Tinuvin-1130Tinuvin-1130 ISO 9001：2015 REACHTinuvin-1130Antioxidant 1130CHLUMILS UV 5151Light Stabilizer 5151

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: 104810-48-2、84268-33-7
PubChem CID: 93481
DTXSID: DTXSID9036488
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 Å²
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

物理化学的性質

沸点: 166 °C · 166 °C (0,011 kPa)
比重(密度): 1 · 1,17 g/cm3 (20 °C)
蒸気圧: 0 · 0,0048 hPa (25 °C)
闪点: 218 °C · 218 °C
外見: viscous liquid
色: light yellow to light amber
臭い (Odor): odourless
PH: 6 · approx. 6,5 (10 g/l, 20 - 25 °C)
水溶解度: 0 · 0,0077 g/l (20 °C, 1.013 hPa)
化粧品成分の機能: 光安定剤
InChI: InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
InChIKey: UJRDRFZCRQNLJM-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCC1=CC(C(C)(C)C)=C(O)C(N2N=C3C=CC=CC3=N2)=C1
CAS データベース: 104810 · 104810-48-2
EPAの化学物質情報: -3 · Polyethylene glycol mono-3-[3-(2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-1-oxopropyl ether (104810-48-2)

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 6 件

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 · 3 件

Skin Sens. 1 (96.6%)

Aquatic Chronic 4 (99.1%)

Skin Sens. 1 (100%)

安全データ

tsca: TSCA listed
化審法: 新規公示化学物質（2011年3月31日以前届出）

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 · 2 件

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 · 3 件

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

応用分野 · 1 件

使用Tinuvin-1130 has good resistance to high temperature and anti-extraction properties. The product is particularly suitable for the field of industrial with high weather resistance requirements and automotive coatings, and it also provides adequate protection for woody sensitive substrates.