4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol (HCID 634278)

名称と識別子

優先名称: 4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
IUPAC: 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
現地名: α,α,α'-トリス(4-ヒドロキシフェニル)-1-エチル-4-イソプロピルベンゼン
英語名: alpha,alpha,alpha'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene
分子式: C29H28O3
分子量: 424.53

名称と別名

Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis-DTXSID3073052EC 425-600-3Phenol, 4,4'-(1-(4-(1-(4-hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)bis-4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol4,4'-(1-{4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl}ethylidene)diphenol4,4'-(1-(4-(1-(4-hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)bisphenol4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bisphenolRefChem:506440DTXCID5033179425-600-3638-739-1

名称をさらに表示

α,α,α'-トリス(4-ヒドロキシフェニル)-1-エチル-4-イソプロピルベンゼン4-[4-[1,1-ビス(4-ヒドロキシフェニル)エチル]-α,α-ジメチルベンジル]フェノール4,4'-[α-メチル-4-[1-メチル-1-(4-ヒドロキシフェニル)エチル]ベンジリデン]ビスフェノール1-(α,α-ジメチル-4-ヒドロキシベンジル)-4-[1,1-ビス(4-ヒドロキシフェニル)エチル]ベンゼン4,4'-[1-[4-[1-(4-ヒドロキシフェニル)-1-メチルエチル]フェニル]エタン-1,1-ジイル]ビスフェノール4,4'-[1-[4-[1-メチル-1-(4-ヒドロキシフェニル)エチル]フェニル]エチリデン]ビスフェノール4,4'-[1-[4-[1-(4-ヒドロキシフェニル)-1-メチルエチル]フェニル]エチリデン]ビスフェノール4,4'-[1-[4-[2-(4-ヒドロキシフェニル)プロパン-2-イル]フェニル]エチリデン]ジフェノール4，4′‐［1‐［4‐［2‐（4‐ヒドロキシフェニル）プロパン‐2‐イル］フェニル］エチリデン］ジフェノール4-[4-[1,1-ビス(4-ヒドロキシフェニル)エチル]]-α,α-ジメチルベンジルフェノール4-｛4-［1，1-ビス（4-ヒドロキシフェニル）エチル］-α，α-ジメチルベンジル｝フェノール4,4'-{1-[4-[1-(4-ヒドロキシフェニル)-1-メチルエチル]フェニル]エチリデン}ビスフェノール4,4′-[1-[4-(4-ヒドロキシ-α,α-ジメチルベンジル)フェニル]エチリデン]ビスフェノール4-(2-{4-[1,1-ビス(4-ヒドロキシフェニル)エチル]フェニル}プロパン-2-イル)フェノール4,4′-[1-[4-[2-(4-ヒドロキシフェニル)プロパン-2-イル]フェニル]エチリデン]ジフェノール4,4′-[1-[4-[1-(4-ヒドロキシフェニル)-1-メチルエチル]フェニル]エチリデン]ジフェノール4-[1-[4-[1,1-ビス(4-ヒドロキシフェニル)エチル]フェニル]-1-メチルエチル]フェノール4,4′-[α-メチル-4-[1-メチル-1-(4-ヒドロキシフェニル)エチル]ベンジリデン]ビスフェノール4,4′-[1-[4-[1-(4-ヒドロキシフェニル)-1-メチルエチル]フェニル]エチリデン]ビスフェノール4,4′-[1-[4-[2-(4-ヒドロキシフェニル)プロパン-2-イル]フェニル]-1,1-エタンジイル]ビスフェノールTrisphenol PATrishydroxyphenylethylisopropylbezeneTriphenol ATRIS-PA (PHENOL)ethane-1,1-diyl)4,4'-(1-(4-(2-(4-Hydroxyphenyl)a,a,a'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzeneα,α,α'-Tris(4-hydroxyphenyl)-1- ethyl-4-isopropylbezene

110726-28-84,4'-(1-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenyl)ethane-1,1-diyl)diphenolalpha,alpha,alpha'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenolMFCD00191685C29H28O34-(2-{4-[1,1-BIS(4-HYDROXYPHENYL)ETHYL]PHENYL}PROPAN-2-YL)PHENOL4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-methyl-ethyl]phenol

データベース識別子

CAS: 110726-28-8
PubChem CID: 634278
DTXSID: DTXSID3073052
ChEMBL: CHEMBL455575
EC Number: 425-600-3、638-739-1
Nikkaji: J157.826J

物性

構造計算による物性

XLogP: 6.9
極性表面積: 60.7 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 32
形式電荷: 0
複雑度: 547

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionWet Solid

物理化学的性質

融点: 225 °C · 225°C
沸点: 623.1 · 623.1±50.0 °C(Predicted)
比重(密度): 1.186 · 1.186±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 10.22 · 10.22±0.10(Predicted)
色: White to Almost white
InChI: InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3
InChIKey: WXYSZTISEJBRHW-UHFFFAOYSA-N
SMILES: C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C1=CC=C(C(C2=CC=C(O)C=C2)(C)C)C=C1)C
EPAの化学物質情報: 4 · Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- (110726-28-8)

安全と法規制

GHS分類

GHS Classification · 6 件

H413: 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)

H413 (100%): 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 18 reports by companies from 2 notifications to the ECHA C&L Inventory.

Warning

危険有害性情報

Regulatory Information · 3 件

Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- 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.

Status: Active Update: 14-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33600

Hazard Classes and Categories · 4 件

Aquatic Chronic 4 (100%)

Skin Irrit. 2 (50%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

安全データ

tsca: TSCA listed
hs_code: 2907.29.2500
risk_code: 36/37/38
化審法: (4)-1644
safety_code: 26-36/37/39

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Consumer UsesSolvent

Industry UsesPhotosensitizers

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis-: ACTIVE

応用分野

用途有機合成原料。

使用α,α,α''-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene is a useful reactant in the synthesis of single-walled carbon nanotubes (SWNTs) through irradation with an IR laser.

上流・下流製品情報

上流原料

Ethanone, 1-[4-[1-[4-(acetyloxy)phenyl]-1-methylethyl]phenyl]-4'-(1-ヒドロキシ-1-メチルエチル)アセトフェノンフェノール

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

α,α,α'-トリス(4-ヒドロキシフェニル)-1-エチル-4-イソプロピルベンゼン

基本情報