4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol) (HCID 4134035)

名称と識別子

優先名称: 4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)
IUPAC: 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
現地名: 4,4'-(3,3,5-トリメチル-1,1-シクロヘキサンジイル)ビス(フェノール)
英語名: Bisphenol TMC
分子式: C21H26O2
分子量: 310.43

名称と別名

129188-99-4Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis-RefChem:5064614,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)603-320-4Bisphenol TMC4,4'-(3,3,5-trimethylcyclohexane-1,1-diyl)diphenol4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenolMFCD28167155SCHEMBL18187BDBM176759AS-68282

名称をさらに表示

4,4'-(3,3,5-トリメチルシクロヘキシリデン)ジフェノール4,4'-(3,3,5-トリメチル-1,1-シクロヘキサンジイル)ビスフェノール4,4'-(3,3,5-トリメチルシクロヘキサン-1,1-ジイル)ビスフェノール4,4'-(3,3,5-トリメチルシクロヘキシリデン)ビスフェノール4,4'-(3,3,5-トリメチル-1,1-シクロヘキサンジイル)ビス(フェノール)1,1-ビス(4-ヒドロキシフェニル)-3,3,5-トリメチルシクロヘキサン４，４’（３，３，５トリメチルシクロヘキシリデン）ジフェノルビスフェノールTMC4,4′-(3,3,5-トリメチルシクロヘキサン-1,1-ジイル)ジフェノール4,4′-(3,3,5-トリメチルシクロヘキサン-1-イリデン)ジフェノール4,4′-(3,3,5-トリメチルシクロヘキシリデン)ジフェノール4,4′-(3,3,5-トリメチル-1,1-シクロヘキサンジイル)ビスフェノール4,4′-(3,3,5-トリメチルシクロヘキサン-1,1-ジイル)ビスフェノール4-[1-(4-ヒドロキシフェニル)-3,3,5-トリメチルシクロヘキシル]フェノール4,4′-(3,3,5-トリメチルシクロヘキシリデン)ビスフェノール4,4′-(3,3,5-トリメチル-1,1-シクロヘキサンジイル)ビス(フェノール)1,1-BIS(4-HYDROXYPHENYL)-3,3,5-TRIMETHYLCYCLOHEXANEBisphenol TMC,BPTMCBisphenol TMC SolutionBisphenol TMC in acetonitrileBisphenol TMC@10 mg/mL in MethanolBisphenol TMC 100 μg/mL in Methanol1,1-BIS(4-HYDROXYPHENYL)-3,3,5-TRIMETHYLCY

US9688816, JBisphenol TMC 100 microg/mL in Methanol1,1-bis-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexaneBISP-TMC2~3~,2~3~,2~5~-Trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diolBPTMCHydro Isophorone BisphenolA888889

データベース識別子

CAS: 129188-99-4
PubChem CID: 4134035
DTXSID: DTXSID50881048
ChEMBL: CHEMBL5877031
EC Number: 603-320-4
Nikkaji: J327.379B

物性

構造計算による物性

XLogP: 6.3
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 23
形式電荷: 0
複雑度: 365

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionDry Powder

物理化学的性質

融点: 204 · 204-207°C
沸点: 450.8 · 450.8±38.0 °C(Predicted)
比重(密度): 1.075 · 1.075±0.06 g/cm3(Predicted)
貯蔵温度: Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 9.91 · 9.91±0.30(Predicted)
外見: 個体
色: ホワイトからオフホワイト
BRN: 9785841 · 9785841
Henry's Law Constant: 4.4 · 4.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
InChIKey: UMPGNGRIGSEMTC-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)CC(C)CC(C)(C)C1
EPAの化学物質情報: 4 · Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- (129188-99-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

危険有害性情報

Regulatory Information · 2 件

Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)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.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Aquatic Chronic 1 (100%)

安全データ

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesMonomers

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis-: ACTIVE

応用分野 · 2 件

説明Bisphenol TMC, also known as 2,2-bis-(4-hydroxy phenyl) butane, is a very important organic chemistry raw material, they are as macromolecular material intermediate, are applied in the fields such as synthetic epoxy resin, cyanate, polycarbonate, polyarylester and resol widely.

使用Bisphenol TMC(1,1-Bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane) is a bisphenol derivative used in the preparation of polycarbonate, polyester and epoxy resins.

上流・下流製品情報

上流原料

3,3,5-トリメチルシクロヘキサノン 1-オクタンチオールフェノール炭酸ジフェニル

サプライヤー50 社

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

湖北云镁科技有限公司027-59206672 18995657604 · [email protected]

4,4'-(3,3,5-トリメチル-1,1-シクロヘキサンジイル)ビス(フェノール)

基本情報