1,3,5-トリス[[4-(1,1-ジメチルエチル)-3-ヒドロキシ-2,6-ジメチルフェニル]メチル]-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン

1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

HCID 93221CAS 40601-76-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O
InChIKey: XYXJKPCGSGVSBO-UHFFFAOYSA-N
分子式: C42H57N3O6
平均分子量: 699.9 g/mol
単同位体質量: 699.42473654

名称と識別子

優先名称: 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
IUPAC: 1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
現地名: 1,3,5-トリス[[4-(1,1-ジメチルエチル)-3-ヒドロキシ-2,6-ジメチルフェニル]メチル]-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン
英語名: Antioxidant 1790
分子式: C42H57N3O6
分子量: 699.92

名称と別名

Cyanox 1790Cynomix 1790ADK-ARKLS DH 48253H13NWCQ1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Tris((4-tert-butyl-3-hydroxy-2,6-xylyl)methyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl)-1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione1,3,5-tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid

名称をさらに表示

1,3,5-トリス(3-ヒドロキシ-4-tert-ブチル-2,6-ジメチルベンジル)-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン1,3,5-トリス[[4-(1,1-ジメチルエチル)-3-ヒドロキシ-2,6-ジメチルフェニル]メチル]-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン1,3,5-トリス[2,6-ジメチル-3-ヒドロキシ-4-tert-ブチルベンジル]-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン1,3,5-トリス(4-tert-ブチル-3-ヒドロキシ-2,6-ジメチルベンジル)-1,3,5-トリアジン-2,4,6-トリオンイルガノックス17901,3,5-トリス(4-tert-ブチル-3-ヒドロキシ-2,6-ジメチルベンジル)ヘキサヒドロ-1,3,5-トリアジン-2,4,6-トリオン1,3,5-トリス(2,6-ジメチル-3-ヒドロキシ-4-tert-ブチルベンジル)-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオンシアノックス1790トリス(4-tert-ブチル-3-ヒドロキシ-2,6-ジメチルベンジル)イソシアヌル酸イソシアヌル酸トリス(4-tert-ブチル-3-ヒドロキシ-2,6-ジメチルベンジル)1，3，5-トリス（4-tert-ブチル-3-ヒドロキシ-2，6-ジメチルベンジル）イソシアヌル酸CYANOX® 1790 (1000 ΜG/ML IN HEXANE)Cyanox® 1790 , 1000 ug/mL in Hexaneイルガノクス3790トリス[(4-tert-ブチル-3-ヒドロキシ-2,6-ジメチルフェニル)メチル]-1,3,5-トリアジナン-2,4,6-トリオン1,3,5-トリス(4-tert-ブチル-3-ヒドロキシ-2,6-ジメチルベンジル)-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオンTRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL) ISOCYANURATEirganox 1790TH-1790Thanox 1790Lowinox 17901,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trioneAO-1790Irganox 3790Irganox-3790Eusorb UV-329

1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6-(1H,3H,5H)TRIONE1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione254-996-9RefChem:4124821,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-40601-76-1Cyanox CY 1790

データベース識別子

CAS: 40601-76-1
PubChem CID: 93221
DTXSID: DTXSID8028008
ChEMBL: CHEMBL3184256
UNII: 253H13NWCQ
EC Number: 254-996-9
Nikkaji: J38.951J

物性

構造計算による物性

XLogP: 10
極性表面積: 122 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 9
重原子数: 51
形式電荷: 0
複雑度: 1,090

実験および物理化学的性質

Polymers · 2 件

Plastics -> PUR

Plastics -> Antioxidants

FragrancesFragrance Ingredient (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-) -> IFRA transparency List

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder; Large Crystals; Dry Powder

物理化学的性質

融点: 163 · 163-165 °C(lit.)
沸点: 793.8 · 793.8±60.0 °C(Predicted)
比重(密度): 1.172 · 1.172±0.06 g/cm3(Predicted)
蒸気圧: 0 Pa · 0Pa at 20℃
貯蔵温度: Sealed in dry,Room Temperature
溶解性: アセトニトリル（微量）、DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 11.36 · 11.36±0.28(Predicted)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 20 μg/L · 20μg/L at 20℃
化粧品成分の機能: 抗酸化物質
InChIKey: XYXJKPCGSGVSBO-UHFFFAOYSA-N
SMILES: N1(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C(=O)N(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C(=O)N(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C1=O
LogP: 15.281 at · 15.281 at 20℃
CAS データベース: 40601 · 40601-76-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- (40601-76-1)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 22.4% (108 of 482) of reports.

H413 (69.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 482 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]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: 10-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13735

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAquatic Chronic 4 (69.3%)

安全データ

wgk: 2
tsca: TSCA listed
hs_code: 29336990
risk_code: 36/37/38
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 550,000 - <1,000,000 lb

Consumer UsesUV stabilizer

Industry UsesAntioxidant

Use Classification · 3 件

Fragrance Ingredients

Plastics -> Antioxidants

Plastics -> Polymer Type -> PUR

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-: ACTIVE

応用分野 · 1 件

説明Antioxidant 1790, the appearance is white to off-white powder , Purity ≥95% . Antioxidant 1790 is a kind of hindered phenol primary antioxidant, It can be used in polypropylene, polyamide, ABS resin,polystyrene,elastic fiber, PE PP food package as USA FDA regulation .

上流・下流製品情報

上流原料

3-クロロメチル-6-(1,1-ジメチルエチル)-2,4-ジメチルフェノールシアヌル酸 Cyanuric acid trisodium salt

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