基本情報
- CAS
1745-89-7- 標準SMILES
C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O- InChIKey
WOCGGVRGNIEDSZ-UHFFFAOYSA-N- 分子式
- C21H24O2
- 平均分子量
- 308.4 g/mol
- 単同位体質量
- 308.17763001
名称と識別子
- 優先名称
- Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
- IUPAC
- 4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol
- 現地名
- 4,4'-(ジメチルメチレン)ビス[2-(2-プロペニル)フェノール]
- 英語名
- Diallyl bisphenol A
- 分子式
- C21H24O2
- 分子量
- 308.41
名称と別名
1745-89-7Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-4,4'-Isopropylidenebis(2-allylphenol)2,2-Bis(4-hydroxy-3-allylphenyl)propaneEINECS 217-121-14,4'-Isopropylidenebis[2-allylphenol]DTXSID1061942EC 217-121-1Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propenyl)-Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)-RefChem:860942
名称をさらに表示
ジアリルビスフェノールA2,2-ビス(3-アリル-4-ヒドロキシフェニル)プロパン4,4'-(ジメチルメチレン)ビス(2-アリルフェノール)4,4'-(イソプロピリデン)ビス(2-アリルフェノール)o,o'-ジアリルビスフェノールA2,2-ビス(4-ヒドロキシ-3-アリルフェニル)プロパン4,4'-イソプロピリデンビス[2-アリルフェノール]4,4'-(プロパン-2,2-ジイル)ビス[2-(2-プロペニル)フェノール]4,4'-イソプロピリデンビス(2-アリルフェノール)4,4'-(1-メチルエチリデン)ビス[2-(2-プロペニル)フェノール]4,4'-ジメチルメチレンビス[2-(2-プロペニル)フェノール]2,2'-ビス(2-プロペニル)[4,4'-(プロパン-2,2-ジイル)ジフェノール]2,2'-ジ(2-プロペニル)-[4,4'-(1-メチルエチリデン)ビスフェノール]4,4'-(1-メチルエチリデン)ビス(2-アリルフェノール)
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 40.5 Ų
- 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
- 6
- 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 DescriptionLiquid
物理化学的性質
- 沸点
- 445.2 · 445.2±40.0 °C(Predicted)
- 比重(密度)
- 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 20 · n20/D 1.587(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 10.53 · 10.53±0.10(Predicted)
- 外見
- viscous liquid
- 水溶解度
- 31.1 mg/L · 31.1mg/L at 20℃
- InChI
- InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
- InChIKey
- WOCGGVRGNIEDSZ-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C(CC=C)=C1)(C1=CC=C(O)C(CC=C)=C1)(C)C
- LogP
- 4.12 at · 4.12 at 20℃
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.6% (4 of 155) of reports.
Danger
H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)-
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)- 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: 11-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12478
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1B (97.4%)
Skin corrosion - category 1
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1760 8/PG 3
- risk_code
- 34-43
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
- hazard_code
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Adhesive Manufacturing
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)-: ACTIVE
応用分野
用途合成樹脂添加剤、液晶原料、感光剤、情報記録剤。
使用diallyl bisphenol A is a kind of modified monomer of thermosetting resin which is mainly used in the modifying and toughening of bismaleimide resin, epoxy resin, phenolic resin etc., and it can enhance the toughness of thermosetting resin greatly. It also can be used as actively diluent of thermosetting resin. The adhesion strength between metal can be further improved when used in rubber.
一般的な説明2,2′-Diallylbisphenol A (DABA) is a diallyl based epoxy modification agent that blends with the resin to improve the mechanical property of the epoxy material. It is majorly used in novalac based resins, which can be further cured with bismaleimides (BMI) for aerospace, electronics and wireless communication based applications.
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
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化合物ノート
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