基本情報
- CAS
3290-92-4- 標準SMILES
C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C- InChIKey
OKKRPWIIYQTPQF-UHFFFAOYSA-N- 分子式
- C18H26O6
- 平均分子量
- 338.4 g/mol
- 単同位体質量
- 338.17293854
概要
Trimethylolpropane trimethacrylate is a carbonyl compound.
名称と識別子
- 優先名称
- Trimethylolpropane Trimethacrylate
- IUPAC
- 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate
- 現地名
- トリメチロールプロパントリメタクリラート
- 英語名
- Trimethylolpropane trimethacrylate
- 分子式
- C18H26O6
- 分子量
- 338.4
名称と別名
TRIMETHYLOLPROPANE TRIMETHACRYLATE3290-92-4Acryester TMPTMPTMAChemlink 30Blemmer PTTLight Ester TMPPerkalink 400NK Ester TMPTSartomer 350NK Ester M TMPTSartomer SR 350
名称をさらに表示
トリメチロールプロパントリメタクリラート2,2-ビス(ヒドロキシメチル)ブタノールトリメタクリラートケムリンク30ビス(2-メチルプロペン酸)2-エチル-2-[[(2-メチルプロペノイル)オキシ]メチル]プロパン-1,3-ジイルビスメタクリル酸2-エチル-2-[(メタクリロイルオキシ)メチル]-1,3-プロパンジイル1,1,1-プロパントリメタノールトリメタクリラートトリスメタクリル酸(プロパン-1,1,1-トリイルトリスメチレン)2-[(2-メチルアクリロイルオキシ)メチル]-2-エチルプロパン-1,3-ジオールビス(2-メチルアクリラート)ケムリンク3080トリス(メタクリル酸)[(プロパン-1,1,1-トリイル)トリスメチレン]2-エチル-2-ヒドロキシメチル-1,3-プロパンジオールトリスメタクリラートトリメタクリル酸トリメチロールプロパン2-エチル-2-[(メタクリロイルオキシ)メチル]プロパン-1,3-ジオールジメタクリラートメタクリル酸2,2-ビス(メタクリロイルオキシメチル)ブチルメタクリル酸2,2-ビス[(メタクリロイルオキシ)メチル]ブチル1,1,1-プロパントリイルトリメタノールトリメタクリラート2-エチル-2-[(メタクリロイルオキシ)メチル]-1,3-プロパンジオールビス(メタクリラート)
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 13
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 470
実験および物理化学的性質
PolymersPlastics & Rubber -> (Meth)acrylates
CosmeticsCosmetic ingredients (Trimethylolpropane Trimethacrylate) -> CIR (Cosmetic Ingredient Review)
Physical Description
Liquid; Dry Powder
Amber liquid with a musty odor; [AIHA] Yellow viscous liquid; [Alfa Aesar MSDS]
Collision Cross Section183.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3027530]
物理化学的性質
- 融点
- -25 °C · -25°C
- 沸点
- 200 °C · >200°C 1mm
- 比重(密度)
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- 蒸気密度
- 1 · >1 (vs air)
- 蒸気圧
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.472(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- Insoluble in water
- 外見
- 液体
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 22.3% (195 of 874) of reports.
H411 (76.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 874 reports by companies from 16 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, 2-methyl-, 2-ethyl-2-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
2-Propenoic acid, 2-methyl-, 1,1'-[2-ethyl-2-[[(2-methyl-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, 2-methyl-, 1,1'-[2-ethyl-2-[[(2-methyl-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)
REACH registered substance: Propylidynetrimethyl trimethacrylate (EC: 221-950-4)
2-Propenoic acid, 2-methyl-, 2-ethyl-2-(2-methyl-1-oxo-2-propenyl)oxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A common skin sensitizer in dentistry; [Kanerva, p. 1392] May polymerize violently at >32 deg C, at >12 months of storage, or when exposed to light, free radicals, or oxidizing agents; [AIHA] A mild skin irritant; Causes ataxia, tremor, and dyspnea in intraperitoneal lethal-dose studies of rats; [RTECS] An irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAquatic Chronic 2 (76.7%)
毒性情報
化学と産業
用途と製造
Uses
CIR ingredient: Trimethylolpropane Trimethacrylate
Used in UV-cured inks, coatings, adhesives, and dental sealants; [AIHA] Used in the chemical, paint, and polymer industries; Also used in adhesives, binding agents, cosmetics, vulcanizing agents, and crosslinking agents; [IUCLID]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesMonomers
Industry UsesIntermediate
Household ProductsInformation on 2 consumer products that contain Propylidynetrimethyl trimethacrylate in the following categories is provided:
General Manufacturing Information
Printing and Related Support Activities
2-Propenoic acid, 2-methyl-, 1,1'-[2-ethyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
応用分野
使用Trimethylolpropane trimethacrylate (TMPTMA) is used as an intermediate product for polymer synthesis in the chemical industry. It is a reactive trifunctional methacrylate suitable for use in a wide ranging number of polymer cross linking functions. TMPTMA is particularly useful as a co-agent in PVC plastisols, plasticizer systems and elastomers. Other applications include as an additive in water based emulsions, adhesives and UV/EB cured coatings.
一般的な説明Trimethylolpropane trimethacrylate is a carbonyl compound.
調製方法
製造方法synthesis of Trimethylolpropane trimethacrylate: 40.25g (0.3mol) of trimethylolpropane and 90.41g (1.05mol) of methacrylic acid were added to the reactor equipped with a reflux condenser, a water separator, a thermometer, a stirrer, and an air sampling device respectively to inhibit the polymerization. Agent 0.39g (prepared by hydroquinone: phenothiazine=2: 1 mass ratio), CZ zirconium-based solid acid catalyst 1.21g, with water agent 100ml (prepared by the volume ratio of toluene: cyclohexane=45: 55) ), be gradually warming up to 85 ± 5 ℃ while stirring, the flow velocity that keeps feeding air in the reactor is 7ml/min, at 90-100 ℃ temperature, reacted for 5 hours (when the water agent was brought out without reaction to generate water is the reaction end point), and the filter residue obtained by filtration of the reaction solution is a CZ zirconium-based solid acid catalyst (recovered and reused). Activated carbon 2g was added to the reaction mother liquor, the temperature was raised to 45±5°C with stirring, maintained for 15 minutes, filtered while hot, and the filtrate after the activated carbon was removed was evaporated under reduced pressure to obtain the target product trimethylolpropane trimethacrylate. 110g, the purity is 98.2%, the acid value is ≤0.5mg/g (the acid value detection method is determined according to the method of GB 1668-8), and the esterification rate is 98.2%.
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