乳酸メチル
乳酸メチル · 2-ヒドロキシプロピオン酸メチル · 2-ヒドロキシプロパン酸メチル · メチル 2-ヒドロキシプロパノアート · Methyl 2-hydroxypropanoate · LACTIC ACID METHYL ESTER · Propanoicacid,2-hydroxy-,methylester · METHYL LACTATE

識別子と物理属性
| CAS No. | 2155-30-8 |
|---|---|
| 分子式 | C4H8O3 |
| 平均分子量 | 104.1 g/mol |
| 単同位体質量 | 104.04734412 g/mol |
| SMILES | COC(=O)C(C)O |
| InChIKey | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| PubChem CID | 11040 |
| ChEMBL | CHEMBL3183351 |
| ChEBI | CHEBI:83221 |
| EC No. | 208-930-0 |
| DTXSID | DTXSID0027197 |
| 現地名 | 乳酸メチル |
化学・物理的性質
| XLogP | -0.1 |
|---|---|
| 極性表面積 | 46.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 69.3 |
| Solvents | Solvents -> Esters (<C12) |
| 化粧品 | Cosmetic ingredients (Methyl Lactate) -> CIR (Cosmetic Ingredient Review) |
| 密度 | 1.09 at 19 °C/Bulk density/ (wt/gal)= 9 LB @ 68 °F1.093 g/mL at 20 °C(lit.) |
| Viscosity | 2.94 cP at 20 °C |
| Color/Form | Colorless, transparent liquid |
| 溶解度 | Miscible in water with decompositionSoluble in alcohol, etherMiscible with most organic solvents混和性、加水分解 |
| 引火点 | 51 °C (124 °F) - closed cup121 °F (49 °C) (closed cup) |
| 沸点 | 144-145 °C35 °C (6 mmHg) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| 融点 | Freezing Point: approximately -66 °C-66°C |
| 蒸気密度 | 3.6 (Air = 1) |
| 蒸気圧 | 1.85 [mmHg]3.5 mm Hg at 25 °C |
| 比旋光度 | [α]D20+1.410~+1.418 |
| 屈折率 | n20/D 1.413 |
| 貯蔵条件 | Flammables area |
| 外観・状態 | 液体 |
| pKa(酸解離定数) | 13.07±0.20(Predicted) |
| 色 | 無色透明~淡黄色 |
| 比重 | 1.09 |
| Merck | 14,6094 |
| BRN | 1720586 |
| ヘンリー定数 | 9.1×100 mol/(m3Pa) at 25℃, Sanz and Gmehling (2005) |
| 化粧品成分の機能 | 溶媒香料香料 |
| InChI | 1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3 |
| InChIKey | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C)O |
| LogP(分配係数) | -0.670 (est) |
| CAS データベース | 547-64-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Propanoic acid, 2-hydroxy-, methyl ester(547-64-8) |
| EPAの化学物質情報 | Methyl lactate (547-64-8) |
化学的特性
Methyl lactate is a colorless transparent liquid. It is soluble/miscible in water, acetone, ethyl alcohol, and other organic solvents. It is used as a cellulose acetate solvent.
安全性と法規制
| GHS 分類 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard |
| 火災の可能性 | Moderate fire risk. |
| 有害性の概要 | Decomposed by water[Hawley] Mildly irritating[HSDB] An eye and respiratory tract irritant[eChemPortal: ESIS]See ORGANIC SOLVENTS. |
| Flammable Limits | Lower flammable limit: : 2.2% by vol @ 212 °F (100 °C) |
| NFPA Hazard Classification | 1 - Materials that, under emergency conditions, can cause significant irritation.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Toxic Combustion Products | Special hazards arising from the substance or mixture: Carbon oxides |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquid - category 3Flammable liquids - Category 3 |
| Skin, Eye, and Respiratory Irritations | Methyl Lactate was not irritating to guinea pig eyes./Methyl lactate/ dropped into the eyes of rabbits ... was classified as non-irritating. |
| Hazardous Reactivities and Incompatibilities | Incompatible materials: Oxidizing agents, acids, Bases |
| Firefighting Hazards |
用途
用途
セルロースアセテート溶剤、ラッカー,印刷インキなどの配合剤,医薬や農薬の合成原料
説明
Methyl lactate is a compound with many uses. It can be used as a solvent, as a starting material for the manufacture of polyiactic acid, or as a starting material for numerous other reactions. For example, it can be used as intermediate in lactic acid purification, and as building block in the synthesis of chiral components, e.g., pesticides, and as a starting material for lactide manufacture.
使用
Methyl lactate is used as a solvent for nitrocellulose, cellulase acetate, cellulase acetobutyrote and cellulase acetaprapionate. It is used in the manufacture of lacquers and dopes where it contributes high tolerance for diluents, good flaw and blush resistance.
製法・合成法
純化方法
Methyl lactate is easily hydrolyzed and often contains impurities such as free lactic acid, methanol and water. Free acid can be removed by washing after neutralization with alkali. Moisture can be removed by azeotropic distillation of an azeotropic mixture with benzene. Then, it was purified by distillation under reduced pressure. Since calcium chloride and the like form molecular compounds with methyl lactate, they cannot be used as desiccants. When the methyl lactate is mixed with water, it can be extracted and recovered with benzene, ether, etc.