1,1,1-Tris(4-hydroxyphenyl)ethane (HCID 93118)

名称と識別子

優先名称: 1,1,1-Tris(4-hydroxyphenyl)ethane
IUPAC: 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
現地名: 1,1,1-トリス(4-ヒドロキシフェニル)エタン
英語名: 1,1,1-Tris(4-hydroxyphenyl)ethane
分子式: C20H18O3
分子量: 306.36

名称と別名

1,1,1-Tris(4-hydroxyphenyl)ethane27955-94-8Phenol, 4,4',4''-ethylidynetris-Tris(4-hydroxyphenyl)ethane4,4',4''-EthylidynetrisphenolDTXSID20377124,4',4''-Ethane-1,1,1-triyltriphenolPhenol, 4,4',4''-ethylidynetri-TRISP-HAP25K43J16E24,4',4''-(ethan-1,1,1-triyl)triphenolDTXCID0017712

名称をさらに表示

1,1,1-トリス(4-ヒドロキシフェニル)エタン4,4',4''-(エチリジン)トリスフェノール4,4',4''-エチリジントリスフェノール4,4',4''-エチリジントリス(フェノール)4,4',4''-(エタン-1,1,1-トリイル)トリフェノール4,4',4''-(1,1,1-エタントリイル)トリスフェノール4,4',4''-(エタン-1,1,1-トリイル)トリスフェノール4,4',4''-(エタン-1,1,1-トリイル)トリス(フェノール)4,4',4''-(1,1,1-エタントリイル)トリス(フェノール)4,4',4''-エチリジントリフェノール１，１，１トリス（４ヒドロキシフェニル）エタントリス（ヒドロキシフェニル）エタン1,1,1-トリス(P-ヒドロキシフェニル)エタン4,4′,4′′-エチリジントリスフェノール4,4′,4′′-(エチリジン)トリスフェノール4,4′,4′′-(1,1,1-エタントリイル)トリスフェノール4-[1,1-ビス(4-ヒドロキシフェニル)エチル]フェノール4,4′,4′′-(エタン-1,1,1-トリイル)トリス(フェノール)4,4′,4′′-エチリジントリス(フェノール)4,4′,4′′-(1,1,1-エタントリイル)トリス(フェノール)THPE1,1,1-TRIS(P-HYDROXYPHENYL)ETHANE4,4',4''-(Ethane-1,1,1-triyl)triphenolTIMTEC-BB SBB006476LABOTEST-BB LT00159983TRIS-HYDROXYPHENYLETHANETri(4-hydroxyphenyl)ethaneTRIS(P-HYDROXYPHENYL)ETHANE4,4',4"-Ethylidynetriphenol

EC 405-800-71,1,1-(TRIS(P-HYDROXYPHENYL))ETHANERefChem:409519Tris(phydroxyphenyl)ethaneTris(4hydroxyphenyl)ethaneTris(parahydroxyphenyl)ethane4,4',4''Ethylidynetrisphenol1,1,1Tris(phydroxyphenyl)ethane

データベース識別子

CAS: 27955-94-8
PubChem CID: 93118
DTXSID: DTXSID2037712
ChEMBL: CHEMBL491936
UNII: 25K43J16E2
EC Number: 405-800-7、608-155-1
Nikkaji: J209.065A

物性

構造計算による物性

XLogP: 4.1
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: 3
重原子数: 23
形式電荷: 0
複雑度: 304

実験および物理化学的性質

Physical Description · 2 件

Dry Powder

White to tan odorless powder; [DuPont MSDS]

Collision Cross Section184.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2037712]

物理化学的性質

融点: 246 · 246-248 °C (lit.)
沸点: 531.8 · 531.8±45.0 °C(Predicted)
比重(密度): 1.252 · 1.252±0.06 g/cm3(Predicted)
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 241 in · 241 in mg/100g standard fat at 20 ℃
外見: powder to crystal
酸解離定数(Pka): 10.02 · 10.02±0.10(Predicted)
色: White to Almost white
水溶解度: 25.1 mg/L · 25.1mg/L at 20℃
InChI: InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3
InChIKey: BRPSWMCDEYMRPE-UHFFFAOYSA-N
SMILES: C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C
LogP: 3.88 at · 3.88 at 20℃
CAS データベース: 27955 · 27955-94-8(CAS DataBase Reference)
EPAの化学物質情報: 4 · Phenol, 4,4',4''-ethylidynetris- (27955-94-8)

安全と法規制

GHS分類

GHS Classification · 6 件

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Phenol, 4,4',4''-ethylidynetris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-ethylidynetris- 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: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1827；Status: Active Update: 14-02-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6876；Status: Cease Manufacture Update: 29-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13161；Status: Active Update: 04-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/14024

Hazards Summary · 1 件

A mild eye irritant; [RTECS] Not a sensitizer in guinea pig maximization test; May cause eye irritation; Prolonged or repeated exposure may cause digestive tract irritation and effects on the liver and kidney (based on animal studies); [DuPont MSDS]

Hazard Classes and Categories · 6 件

Aquatic Chronic 2 (100%)

Hazardous to the aquatic environment (chronic) - category 2

Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

Aquatic Chronic 2

法規制情報

Regulatory Information · 3 件

Phenol, 4,4',4''-ethylidynetris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-ethylidynetris- 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: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1827；Status: Active Update: 14-02-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6876；Status: Cease Manufacture Update: 29-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13161；Status: Active Update: 04-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/14024

安全データ

wgk: 2
tsca: TSCA listed
rtecs: SL4375275
ridadr: UN 3077 9/PG 3
hs_code: 2907290030
risk_code: 36/37/38-51/53
化審法: (4)-1668
hazard_code: Xi,N
safety_code: 26-37/39-61
hazard_class: 9
packing_group: III
Hazard Classifications: Aquatic Chronic 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 2 件

Used in chemical manufacturing; [ExPub: ECHA REACH Registrations] Used as a cross-linking agent and/or branching agent in coatings, adhesives, epoxies, and plastics; [DuPont MSDS]

Painting (Pigments, Binders, and Biocides) [Category: Paint]；Working with Glues and Adhesives [Category: Other]

U.S. Production2023: 75,000 - <100,000 lb；2022: 250,000 - <400,000 lb；2021: 400,000 - <550,000 lb；2020: 100,000 - <250,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesStabilizing agent；Intermediate

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Phenol, 4,4',4''-ethylidynetris-: ACTIVE

応用分野

用途感光性樹脂?エポキシ樹脂原料,ポリカーボネート樹脂改質剤,情報記録紙添加剤

上流・下流製品情報

上流原料

4-メトキシ-α,α-ビス(4-メトキシフェニル)ベンゼンメタノールフェノールビスフェノールA 4'-ヒドロキシアセトフェノン塩化亜鉛塩酸アセチルアセトン

下流製品

ビスフェノールA

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]

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

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

上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

1,1,1-トリス(4-ヒドロキシフェニル)エタン

基本情報