Pentaerythritol tetraacrylate (HCID 62556)

名称と識別子

優先名称: Pentaerythritol tetraacrylate
IUPAC: [3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
現地名: ペンタエリトリトールテトラアクリラート
英語名: Pentaerythritol tetraacrylate
分子式: C17H20O8
分子量: 352.34

名称と別名

Pentaerythritol tetraacrylate4986-89-450LIA3DGN1DTXSID8042264pentaerythrityl tetraacrylateDTXCID6022264RefChem:859747225-644-1[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate2,2-Bis((acryloyloxy)methyl)propane-1,3-diyl diacrylateMFCD00015334Pentaerythritol Tetraacrylate (~80%)

名称をさらに表示

ビスアクリル酸2,2-ビス(アクリロイルオキシメチル)プロパン-1,3-ジイルテトラアクリル酸ペンタエリスリトール2,2-ビス[(アクリロイルオキシ)メチル]-1,3-プロパンジオールビスアクリラートメタンテトライルテトラメタノールテトラアクリラートテトラキス(アクリル酸)メタンテトライルテトラキス(メチレン)テトラメチロールメタンテトラアクリラートビスアクリル酸2,2-ビス[(アクリロイルオキシ)メチル]-1,3-プロパンジイルテトラアクリル酸メタンテトライルテトラキスメチレンテトラキスアクリル酸メタンテトライルテトラキスメチレン1,3-ビス(アクリロイルオキシ)-2,2-ビス(アクリロイルオキシメチル)プロパンペンタエリトリトールテトラアクリラート2,2-ビス[(アクリロイルオキシ)メチル]プロパン-1,3-ジオールジアクリラートペンタエリスリトールテトラアクリラートビスアクリル酸2,2-ビス(アクリロイルオキシメチル)-1,3-プロパンジイルビスアクリル酸2,2-ビス[[(1-オキソ-2-プロペニル)オキシ]メチル]-1,3-プロパンジイルペンタエリスリト-ルテトラアクリレ-トテトラアクリル酸ペンタエリスリトル2，2-ビス［（アクリロイルオキシ）メチル］プロパン-1，3-ジイル＝ジアクリラートテトラアクリル酸ペンタエリスリチルペンタエリスリトールテトラアクリレートPET4APENTAERYTHRITOL TETRACRYLATETETRACROYLPENTAPENTATETRAACRYLATEPENTAERYTHRITOLTETRAAERYLATETetramethylolmethane tetracrylatePentaerythritol tetraacrylate Paste

Pentaerythritol Tetraacrylate (stabilized with MEHQ)F712282-Propenoic acid, 1,1'-(2,2-bis(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester2,2-Bis(((1-oxoallyl)oxy)methyl)-1,3-propanediyl diacrylateC17H20O8UNII-50LIA3DGN1TetramethEINECS 225-644-1

データベース識別子

CAS: 4986-89-4
PubChem CID: 62556
DTXSID: DTXSID8042264
ChEMBL: CHEMBL3188166
UNII: 50LIA3DGN1
EC Number: 225-644-1
Nikkaji: J60.756H

物性

構造計算による物性

XLogP: 2.3
極性表面積: 105 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 16
重原子数: 25
形式電荷: 0
複雑度: 459

実験および物理化学的性質

Physical Description · 2 件

Liquid

Colorless viscous liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index2111；2111

Collision Cross Section172.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8042264]；178.8 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8042264]

物理化学的性質

融点: 18 °C · 18°C
沸点: 450.3 · 450.3±40.0 °C(Predicted)
比重(密度): 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.487(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Amber Vial, Refrigerator, Under inert atmosphere
溶解性: クロロホルム、メタノール（少量）
外見: 個体
色: 無色のろう状
安定性: 光に敏感
化粧品成分の機能: フィルム形成
InChI: InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2
InChIKey: KNSXNCFKSZZHEA-UHFFFAOYSA-N
SMILES: C(OC(=O)C=C)C(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
CAS データベース: 4986 · 4986-89-4(CAS DataBase Reference)
EPAの化学物質情報: Pentaerythritol tetraacrylate (4986-89-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Propenoic acid, 2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester

2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-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, 2,2-bis(1-oxo-2-propenyl)oxymethyl-1,3-propanediyl ester: 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.

Hazards SummaryContains 30-50% 2-(Hydroxymethyl)-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate (CAS# 3524-68-3); An irritant that may cause serious eye injury; May cause skin sensitization; [Sigma-Aldrich MSDS] See Pentaerythritol triacrylate.

Hazard Classes and Categories · 4 件

Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (> 99.9%)

Eye irritation - category 2；Skin irritation - category 2；Skin sensitisation - category 1

Skin sensitization - Category 1

Skin Irrit. 2；Eye Irrit. 2；Skin Sens. 1

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

法規制情報

Regulatory Information · 3 件

Chemical: 2-Propenoic acid, 2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester

2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-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, 2,2-bis(1-oxo-2-propenyl)oxymethyl-1,3-propanediyl ester: 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: 1
tsca: TSCA listed
hs_code: 29161290
risk_code: 36/38-43
化審法: (2)-958, (2)-2578
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-39-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 1,000,000 - <2,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable；Monomers

Industry UsesPhotosensitive chemicals；Not Known or Reasonably Ascertainable；Other；Monomers

General Manufacturing Information · 2 件

Construction；Not Known or Reasonably Ascertainable；Adhesive Manufacturing；Paint and Coating Manufacturing；Plastics Material and Resin Manufacturing；Printing Ink Manufacturing；Wood Product Manufacturing；Miscellaneous Manufacturing；Printing and Related Support Activities；Rubber Product Manufacturing

2-Propenoic acid, 1,1'-[2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE

応用分野 · 3 件

用途単独または他のモノマーと併用しゴム、プラスチックの架橋剤として使用。そのほか被覆材、歯科用材料、耐熱材料用などに使用。

使用PETA can be used in the synthesis of gel polymer electrolyte for the fabrication of lithium-sulfur batteries.

一般的な説明Pentaerythritol tetraacrylate (PETA) is a hydrophobic tetrafunctional monomer that is majorly used as a crosslinking agent that facilitates an improvement in the surface morphology of the polymeric material. It can be synthesized by the suspension of pentaerythritol in the solution of triethylamine and dichloromethane.