Hydrogenated bisphenol a (HCID 94932)

名称と識別子

優先名称: Hydrogenated bisphenol a
IUPAC: 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
現地名: 2,2-ビス(4-ヒドロキシシクロヘキシル)プロパン (異性体混合物)
英語名: Hydrogenated bisphenol A （HBPA）
分子式: C15H28O2
分子量: 240.38

名称と別名

4,4'-Isopropylidenedicyclohexanol2,2-Bis(4-hydroxycyclohexyl)propaneDodecahydrobisphenol ACyclohexanol, 4,4'-(1-methylethylidene)bis-Perhydrobisphenoldicyclohexanolpropane1,1'-Isopropylidenebis(4-cyclohexanol)4,4'-Propane-2,2-diyldicyclohexanolDTXSID0044993NSC-8990NXZ4H12R1ZCyclohexanol, 4,4'-isopropylidenedi-

名称をさらに表示

2,2-ビス(4-ヒドロキシシクロヘキシル)プロパン (異性体混合物)4,4'-(1-メチルエチリデン)ビスシクロヘキサノール4,4'-(ジメチルメチレン)ビス(シクロヘキサン-1-オール)4,4'-(1-メチルエチリデン)ビス(シクロヘキサノール)ペルヒドロビスフェノールA4,4'-(プロパン-2,2-ジイル)ビス(シクロヘキサノール)4,4'-イソプロピリデンビス(1-シクロヘキサノール)2,2-ビス(4-ヒドロキシシクロヘキシル)プロパン4,4'-イソプロピリデンビスシクロヘキサノール水素化ビスフェノ-ル-A水素化ビスフェノルＡp,p'-ジヒドロキシ-2,2-ジシクロヘキシルプロパン (異性体混合物)ペルヒドロビスフェノールA (異性体混合物)2,2‐ビス(4‐ヒドロキシシクロヘキシル)プロパン (異性体混合物)4,4'-イソプロピリデンジシクロヘキサノール、異性体混合物HYDROGENATED BISPHENOL A4,4'-(Propane-2,2-diyl)dicyclohexanolH-BPAMaruzen H-BPAPERHYDROBISPHENOL AHydrogenated Biphenol ABISPHENOL A HYDROGENATED4'-IsopropylidenedicyclohexanolHYDROGENATED BISPHENOL A (HBPA)

NSC 8990EINECS 201-244-2AI3-25180DTXCID8024993EC 201-244-2RefChem:789126Cyclohexanol, 4,4'-isopropylidenedi-(8CI)80-04-6

データベース識別子

CAS: 13804-54-1、13804-57-4、13804-58-5、80-04-6
PubChem CID: 94932
DTXSID: DTXSID0044993
ChEMBL: CHEMBL3185065
UNII: NXZ4H12R1Z
EC Number: 201-244-2
Nikkaji: J192.573C

物性

構造計算による物性

XLogP: 3.3
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: 17
形式電荷: 0
複雑度: 209

実験および物理化学的性質

Physical DescriptionDry Powder

物理化学的性質

融点: 187 °C · 187 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
沸点: 230 · 230-234 °C14 mm Hg(lit.)
比重(密度): 1.048 · 1.048±0.06 g/cm3(Predicted)
蒸気圧: 0.001 Pa · 0.001Pa at 25℃
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: Insoluble in water
外見: powder to lump
酸解離定数(Pka): 15.01 · 15.01±0.40(Predicted)
色: White to Almost white
水溶解度: 192 mg/L · 192mg/L at 20℃
Henry's Law Constant: 9.7 · 9.7×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
InChIKey: CDBAMNGURPMUTG-UHFFFAOYSA-N
SMILES: C(C1CCC(O)CC1)(C1CCC(O)CC1)(C)C
LogP: 2.5 at · 2.5 at 25℃
CAS データベース: 80 · 80-04-6(CAS DataBase Reference)
EPAの化学物質情報: 4 · Cyclohexanol, 4,4'-(1-methylethylidene)bis- (80-04-6)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 7% (13 of 185) of reports.

Warning

H319 (29.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H412 (63.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 13 of 185 reports by companies.；There are 5 notifications provided by 172 of 185 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: Cyclohexanol, 4,4'-(1-methylethylidene)bis-

Cyclohexanol, 4,4'-(1-methylethylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4,4'-(1-methylethylidene)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)

Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11451

Cyclohexanol, 4,4'-(1-methylethylidene)bis-: 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 CategoriesEye Irrit. 2 (29.2%)；Aquatic Chronic 3 (63.2%)

法規制情報

Regulatory Information · 4 件

Chemical: Cyclohexanol, 4,4'-(1-methylethylidene)bis-

Cyclohexanol, 4,4'-(1-methylethylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4,4'-(1-methylethylidene)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)

Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11451

Cyclohexanol, 4,4'-(1-methylethylidene)bis-: 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.

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2906.19.5000
risk_code: 36
化審法: (4)-201
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb；2022: 50,000 - <250,000 lb；2021: 250,000 - <550,000 lb；2020: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Cyclohexanol, 4,4'-(1-methylethylidene)bis-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

説明2,2-Bis(4-hydroxycyclohexyl)propane, also known as 4,4'-Isopropylidenedicyclohexanol, is a crystalline, colorless, and odorless compound. The conformation of the cyclohexane rings gives rise to cis-cis, cis-trans and trans-trans isomers. The industrial product is a mixture of these stereoisomers. The physical properties depend on the relative amounts of the isomers present. The trans-trans compound has the lowest energy and is formed from the other isomers at higher temperature. It has the lowest solubility in solvents such as methanol, butanol, and acetone and has the highest melting point of these isomers.

使用4,4'-isopropylidenedicyclohexanol is unsaturated polyester resin, epoxy resin raw materials, especially as glass, steel, artificial marble bathtub, plating tank and other components, and has a water resistance, chemical resistance, thermal stability and light stability.

上流・下流製品情報

上流原料

フェノールビスフェノール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]

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

2,2-ビス(4-ヒドロキシシクロヘキシル)プロパン (異性体混合物)

基本情報