化工社化工社 化学情報印刷レポート · 研究参考用
フタル酸ジアリル
フタル酸ジアリル · ジアリル=フタラート · ダポンR · ジアリルフタラート · フタル酸アリル · 1,2-ベンゼンジカルボン酸ジ-2-プロペニル · ダップ · フタル酸ジ(2-プロペニル)
識別子と物理属性
| CAS No. | 131-17-9 |
|---|---|
| 分子式 | C14H14O4 |
| 平均分子量 | 246.26 g/mol |
| 単同位体質量 | 246.08920893 g/mol |
| SMILES | C=CCOC(=O)c1ccccc1C(=O)OCC=C |
| InChIKey | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
| PubChem CID | 8560 |
| ChEMBL | CHEMBL1329372 |
| EC No. | 205-016-3 |
| DTXSID | DTXSID7020392 |
| 現地名 | フタル酸ジアリル |
化学・物理的性質
| XLogP | 3.2 |
|---|---|
| 極性表面積 | 52.6 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 8 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 290 |
| Polymers | Plastics & Rubber -> Phthalate EstersPlastics -> PURPVC (soft)Plastics -> Plasticisers |
| LogP（分配係数） | log Kow = 3.23 |
| 臭い | mild lachrymatory穏やかな臭い |
| Plasticizers | Plasticizer |
| 密度 | 1.12 at 68 °F (NTP, 1992) - Denser than waterwill sink1.120 at 20 °C/20 °CRelative density (water = 1): 1.11.120 @ 20°C1.121 g/mL at 25 °C (lit.) |
| Viscosity | 13 cP at 20 °C |
| Color/Form | Nearly colorless, oily liquid |
| 溶解度 | less than 0.1 mg/mL at 72 °F (NTP, 1992)Sol in gasoline, mineral oil, glycerin, certain amines. Sol in most org liquids.In water, 182 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 0.015 (very poor)0.18g/リットル6g/L（20℃） |
| 引火点 | 230 °F (NTP, 1992)166 °C330 °F (166 °C) (Closed cup)166 °C c.c.>230 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 554 °F at 760 mmHg (NTP, 1992)158-165 °C at 4 mm Hg290 °C157 °C @760 [mm Hg]165-167 °C/5 mmHg (lit.) |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| 融点 | -70 °C |
| 蒸気密度 | 8.3 (vs air) |
| 蒸気圧 | 2.3 mm Hg ( 150 °C) |
| 屈折率 | n20/D 1.519(lit.) |
| 貯蔵条件 | Inert atmosphere,2-8°C |
| 外観・状態 | 液体 |
| 色 | 無色透明～薄黄色 |
| BRN | 1880877 |
| ヘンリー定数 | 3.5×101 mol/(m3Pa) at 25℃, Sa\cc (2005) |
| 主な用途 | 洗浄剤化粧品環境食品および飲料パーソナルケア |
| InChI | 1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2 |
| InChIKey | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
| SMILES | C=CCOC(=O)c1ccccc1C(=O)OCC=C |
| LogP（分配係数） | 3.23 at 20℃ |
| CAS データベース | 131-17-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,2-Benzenedicarboxylic acid, di-2-propenyl ester(131-17-9) |
| EPAの化学物質情報 | Diallyl phthalate (131-17-9) |
化学的特性
clear colourless to light yellow liquid
安全性と法規制
| GHS 分類 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)H302+H332 (17.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 1,2-Benzenedicarboxylic acid, di-2-propenyl esterHazard Traits - CarcinogenicityDevelopmental ToxicityEndocrine ToxicityImmunotoxicityReproductive ToxicityRespiratory Toxicity1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl 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)Status: Active Update: 19-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12746Diallyl phthalate: Does not have an individual approval but may be used under an appropriate group standard |
| 輸送ラベル（DOT） | Class 9 |
| 火災危険 | This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 火災の可能性 | Limiting oxygen index (LOI): 26-36 /for diallyl phthalate/. This is a measure of the minimum concentration of oxygen in an oxygen-nitrogen atmosphere that is necessary to support a flame for at least 3 minutes under specified test conditions. |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes and mucous membranes. At very high levels, toxic effects include central nervous system depression. It can cause internal disorders by continued skin absorption. Inhalation may cause nose, throat and lung irritation, lung congestion and liver damage. Eye contact may cause burning. It may cause lacrimation. Other symptoms include coughing, sneezing, thirst, respiratory distress, sore throat, headache and abdominal pain. |
用途
用途
架橋剤,可塑剤,ジアリルフタレート樹脂原料,顔料原料
用途
塗料用樹脂改質剤
用途
合成樹脂、有機合成原料。
説明
Diallyl phthalate is a widely used crosslinking agent for unsaturated polyesters. Diallyl phthalate or diallyl phthalate polyester blends are used primarily as plasticizers and carriers for adding catalysts and pigments to polyesters and in molding, electrical parts, laminating compounds, and impregnation of metal castings. Rubber compounds, epoxy formulations, and polyurethane foams may also contain diallyl phthalate[1].
使用
Diallyl Phthalate is used as a reagent in ring-closing ruthenium based reactions.
一般的な説明
Clear pale-yellow liquid. Odorless.
製法・合成法
製造方法
Diallyl phthalate (DAP) is prepared by reaction of phthalic anhydride and allyl alcohol: