プロピレングリコール1-モノメチルエーテル2-アセタート
プロピレングリコール1-モノメチルエーテル2-アセタート · 酢酸2-メトキシ-1-メチルエチル · プロピレングリコールモノメチルエーテルアセタート · 2-プロピレングリコール1-メチルエーテルアセタート · プロピレングリコールメチルエーテルアセタート · 1-メトキシプロパン-2-オールアセタート · プロピレングリコールモノメチルエーテルアセテート · 2-メトキシ-1-メチルエチル=アセタート
識別子と物理属性
| CAS No. | 108-65-6 |
|---|---|
| 分子式 | C6H12O3 |
| 平均分子量 | 132.16 g/mol |
| 単同位体質量 | 132.07864424 g/mol |
| SMILES | COCC(C)OC(C)=O |
| InChIKey | LLHKCFNBLRBOGN-UHFFFAOYSA-N |
| PubChem CID | 7946 |
| ChEMBL | CHEMBL3182130 |
| EC No. | 203-603-9 |
| DTXSID | DTXSID1026796 |
| 現地名 | プロピレングリコール1-モノメチルエーテル2-アセタート |
化学・物理的性質
| XLogP | 0.4 |
|---|---|
| 極性表面積 | 35.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 90.3 |
| Solvents | Solvents -> Glycol Ethers (P Series) |
| 化粧品 | Cosmetic ingredients (Methoxyisopropyl Acetate) -> CIR (Cosmetic Ingredient Review)Solvent |
| LogP（分配係数） | log Kow = 0.56 |
| 臭い | Sweet, ether-like穏やかなフルーティーな香り |
| 密度 | 0.969 at 68 °F (USCG, 1999) - Less dense than waterwill float0.969 at 20 °CSaturated liquid density: 8.090 lbs/cu ft at 68 °F. Saturated vapor pressure: 0.072 lbs/sq in at 68 °CSaturated vapor density: 0.00167 lbs/cu ft at 68 °CRelative density (water = 1): 0.960.970 g/mL at 25 °C(lit.) |
| Viscosity | 1.23 sq mm/sec at 20 °C |
| Color/Form | Colorless liquid at 15 °C and 1 atm |
| 溶解度 | In water, 1.98X10+5 mg/L at 25 °CIn water, 198 g/L at 20 °C, pH 6.8Solubility in water, g/100ml: 19.8水：20℃で可溶198g/L19.8g/L(25℃) |
| 引火点 | 114 °F (USCG, 1999)42 °C45.5 °C (113.9 °F) - closed cup108 °F (42 °C) - closed cup42 °C c.c.110 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 302 °F at 760 mmHg (USCG, 1999)145-146 °CBP: 145.8 °C at 101.325 kPaBP: 302 °F = 150 °C = 423 K at 1 atm145-146 °C(lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides.When heated to decomposition it emits acrid smoke and irritating vapors. |
| 融点 | -87 °C |
| 蒸気圧 | 3.7 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.402 |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| pH | 4 (200g/l, H2O, 20℃) |
| 爆発限界 | 1.5%(V) |
| BRN | 1751656 |
| ヘンリー定数 | 2.9×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 安定性 | 安定。可燃性。強力な酸化剤、酸、塩基とは相容れない。 |
| 化粧品成分の機能 | 溶媒 |
| InChI | 1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3 |
| InChIKey | LLHKCFNBLRBOGN-UHFFFAOYSA-N |
| SMILES | COCC(C)OC(C)=O |
| LogP（分配係数） | 1.2 at 20℃ |
| CAS データベース | 108-65-6(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Methoxy-2-propyl acetate(108-65-6) |
| EPAの化学物質情報 | 1-Methoxy-2-propyl acetate (108-65-6) |
化学的特性
1-Methoxy-2-propyl acetate(Methoxypropyl Acetate) is a clear, slightly hygroscopic liquid with a mild odour. It is freely miscible with most common organic solvents, but has only limited miscibility with water.By virtue of its ether and ester groups, Methoxypropyl Acetate enters into reactions that are characteristic of ethers and esters and display their solvent power. For instance, it dissolves numerous natural and synthetic resins, waxes, fats and oils.Since Methoxypropyl Acetate may react with the oxygen in the air to form peroxides, BASF supplies it inhibited with 2.6-di-tert-butyl-para-cresol (butylated hydroxytoluene – BHT).
安全性と法規制
| GHS 分類 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3028) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 2-Propanol, 1-methoxy-, acetate2-Propanol, 1-methoxy-, 2-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-methoxy-, 2-acetate 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 03-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/147732-Propanol, 1-methoxy-, acetate: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - 2-Propanol, 1-methoxy-, acetate: Human health tier I assessment |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Special Hazards of Combustion Products: Carbon dioxide and carbon monoxide may form when heated to decomposition. (USCG, 1999)Flammable. Above 42 °C explosive vapour/air mixtures may be formed. |
| 火災の可能性 | Flammable. |
| 健康有害性 | No significant adverse effects expected. (USCG, 1999) |
| 有害性の概要 | An eye and respiratory tract irritantInhalation of high concentrations can cause CNS depression[ICSC] Silk-screen printers were exposed to about 20 ppmPGMA is not tolerated by workers at concentrations >100 ppm because of objectionable odor and lacrimation. [AIHA] An irritant[MSDSonline] See n-Propyl acetate.Targets the kidney and liver[Sigma-Aldrich MSDS] See 1-Methoxy-2-propyl acetate. |
| 反応性グループ | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
用途
説明
Propylene glycol methyl ether acetate (PGMEA), also known as propylene glycol monomethyl ether acetate, with molecular formula of C6H12O3, is a colorless hygroscopic liquid with special smell. It is a non pollution solvent with multi-functional groups. It is mainly used as the solvent of ink, paint, ink, textile dye and textile oil agent, and also as the cleaning agent in the production of LCD. Flammable, may form explosive vapor / air mixture above 42 ° C. Propylene glycol methyl ether acetate (PGMEA) is an advanced solvent. Its molecule has both ether bond and carbonyl. Carbonyl forms the structure of ester and contains alkyl at the same time. In the same molecule, there are both non-polar and polar parts. The functional groups of these two parts not only restrict and repel each other, but also play their inherent roles. Therefore, it has a certain solubility for non-polar substances and polar substances.1-Methoxy-2-propyl acetate (PGMEA) is a material contains polar groups and non polar group , has good ability of dissolving and coupling, commonly used in solvent based coatings and screen printing ink. Using dipropylene glycol methyl ether and acetic acid as raw material, under the catalysis of solid acid, via esterification reaction to generated crude product and its high purity PGMEA after distillation.
使用
1,2-Propanediol monomethyl ether acetate is used as a solvent for paints, inks, lacquers, varnishes, cleaners and coatings. It is also used as a solvent for degreasing circuit boards and in food contact applications. Further, it is used in photoresist formulations in the semiconductor industry.
一般的な説明
Propylene glycol monomethyl ether acetate (PGMEA) is a photoresist solvent. Its degradation by microorganisms in different soil types has been investigated. An oral reference dose (RfD) value of PGMEA has been obtained from inhalation studies. The solubility of (5-alkylsulfonyloxyimino-5H-thiophen-2-ylidene)-2-methylphenyl-acetonitriles in PGMEA has been analyzed.