基本情報
- CAS
52408-42-1- 標準SMILES
C=CC(=O)OCC(O)COCCCCOCC(O)COC(=O)C=C- InChIKey
QIPOUSKNIMYTRA-UHFFFAOYSA-N- 分子式
- C16H26O8
- 平均分子量
- 346.37 g/mol
- 単同位体質量
- 346.16276778
名称と識別子
- 優先名称
- 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester
- IUPAC
- [2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] prop-2-enoate
- 現地名
- ビスアクリル酸(2,11-ジヒドロキシ-4,9-ジオキサドデカン)-1,12-ジイル
- 英語名
- 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] diacrylate
- 分子式
- C16H26O8
- 分子量
- 346.37
名称と別名
52408-42-11,4-BUTANEDIYLBIS[OXY(2-HYDROXY-3,1-PROPANEDIYL)] DIACRYLATEEINECS 257-900-3EC 257-900-32-Propenoic acid, 1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl)) ester2-Propenoic acid, 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] ester2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester1,4-Butanediylbis(oxy(2-hydroxy-3,1-propanediyl)) diacrylate2-Propenoic acid, 1,1'-[1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)]] esterRefChem:479070257-900-3SCHEMBL2113973
名称をさらに表示
ビスアクリル酸(2,11-ジヒドロキシ-4,9-ジオキサドデカン)-1,12-ジイルジプロペン酸1,4-ブタンジイルビス[オキシ(2-ヒドロキシ-3,1-プロパンジイル)]2-ヒドロキシ-3-{4-[2-ヒドロキシ-3-(プロパ-2-エノイルオキシ)プロポキシ]ブトキシ}プロピル プロパ-2-エノアートDipropenoic acid 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] ester2-Propenoic acid, 1,1'-[1,4-butanediylbis[oxy(2-hydroxy-3 ,1-propanediyl)]] ester
DTXSID30866257QIPOUSKNIMYTRA-UHFFFAOYSA-N1,4-Bis(3-acryloxy-2-hydroxypropoxy)butaneNS00003160[(Butane-1,4-diyl)bis(oxy)-2-hydroxypropane-3,1-diyl] diprop-2-enoate
データベース識別子
- CAS
52408-42-1- PubChem CID
- 103631
- DTXSID
DTXSID30866257- EC Number
- 257-900-3
- Nikkaji
- J295.653E
物性
構造計算による物性
- XLogP
- 0.4
- 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
- 17
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 346
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 483.8 · 483.8±45.0 °C(Predicted)
- 比重(密度)
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.79 · 12.79±0.20(Predicted)
- EPAの化学物質情報
- 2 · 2-Propenoic acid, 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] ester (52408-42-1)
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
Danger
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 135 reports by companies from 4 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, 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] ester
2-Propenoic acid, 1,1'-[1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)]] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-[1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)]] ester 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)
2-Propenoic acid, 1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.3%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPhotosensitizers
Industry UsesPhotosensitizers
General Manufacturing Information
Printing and Related Support Activities
2-Propenoic acid, 1,1'-[1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)]] ester: ACTIVE
サプライヤー1 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…