基本情報
- CAS
12704-74-4- 標準SMILES
C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1- InChIKey
AMFGWXWBFGVCKG-UHFFFAOYSA-N- 分子式
- C29H36O8
- 平均分子量
- 512.6 g/mol
- 単同位体質量
- 512.24101811
概要
Bisphenol A glycidylmethacrylate is a diarylmethane.
名称と識別子
- 優先名称
- Bisphenol A diglycidyl ether dimethacrylate
- IUPAC
- [2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] 2-methylprop-2-enoate
- 現地名
- イソプロピリデンジフェニルビス(メタクリル酸オキシヒドロキシプロピル)
- 英語名
- 2,2-BIS[4-(2-HYDROXY-3-METHACRYLOXYPROPOXY)PHENYL]PROPANE
- 分子式
- C29H36O8
- 分子量
- 512.59
名称と別名
名称をさらに表示
データベース識別子
- CAS
12704-74-4、1565-94-2、83382-93-8- PubChem CID
- 15284
- DTXSID
DTXSID7044841- ChEMBL
CHEMBL1600257- ChEBI
CHEBI:34580- UNII
- 454I75YXY0
- EC Number
- 216-367-7
- Nikkaji
- J156.646F
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 16
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 698
実験および物理化学的性質
物理化学的性質
- 沸点
- 670.3 · 670.3±55.0 °C(Predicted)
- 比重(密度)
- 1.161 g/mL · 1.161 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.552(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 12 · 12+-.0.20(Predicted)
- 化粧品成分の機能
- フィルム形成
- InChI
- 1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3
- InChIKey
- AMFGWXWBFGVCKG-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OCC(O)COC(=O)C(C)=C)C=C1)(C1=CC=C(OCC(O)COC(=O)C(C)=C)C=C1)(C)C
- EPAの化学物質情報
- 2 · 2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)] ester (1565-94-2)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (4 of 281) of reports.
Danger
H315 (81.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 281 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, 2-methyl-, 1,1â²-[(1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)]] ester
2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Allergic contact dermatitis from acrylic resins typically affects the fingertips. [Kanerva, p. 543-9] Causes allergic dermatitis on topical exposure to human skin; Causes weight loss and changes in ovarian weight in 28-day intermittent oral study of mice; [RTECS] Unstable and sensitive to heat and light; May polymerize; An irritant; May cause serious eye injury; [Aldrich MSDS]
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UD3438000
- risk_code
- 41-43
- hazard_code
- Xi
- safety_code
- 26-36-36/37/39
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Skin Sens. 1
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Uses
CIR ingredient: Isopropylidenediphenyl Bisoxyhydroxypropyl Methacrylate
Allergic contact dermatitis in dental workers; [Marks] The reaction product of bisphenol A and glycidyl methacrylate that is polymerized by UV light or a catalyst; Used as bond implant material and as the resin component of dental sealants and composite restorative materials; [ChemIDplus] Dental composite resins, UV-curable printing inks, and some glues contain epoxy acrylates such as bis-GMA and bis-GA. [Kanerva, p. 543] Bis-GMA was first developed in the 1960s as the first epoxy methacrylate for dental composite resins. [Kanerva, p. 546]
Working with Glues and Adhesives [Category: Other]
応用分野
説明Bisphenol A glycidyl methacrylate (bis-GMA) is an epoxy-methacrylate. Sensitization occurs in dentists.
使用The Progress in Development of Dental Restorative Materials
上流・下流製品情報
上流原料
サプライヤー100 社
補足説明
定義本品は、次の化学式で表される有機化合物である。
関連反応
化合物ノート
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