化工社化工社 化学情報印刷レポート · 研究参考用
L-(-)-乳酸 エチル
L-(-)-乳酸 エチル · [S,(-)]-乳酸エチル · L-乳酸エチル · (S)-2-ヒドロキシプロパン酸エチル · [S,(-)]-2-ヒドロキシプロピオン酸エチル · (2S)-乳酸エチル · (-)-乳酸エチル · (2S)-2-ヒドロキシプロパン酸エチル
識別子と物理属性
| CAS No. | 687-47-8 |
|---|---|
| 分子式 | C5H10O3 |
| 平均分子量 | 118.13 g/mol |
| 単同位体質量 | 118.06299418 g/mol |
| SMILES | CCOC(=O)C(C)O |
| InChIKey | LZCLXQDLBQLTDK-UHFFFAOYSA-N |
| PubChem CID | 7344 |
| ChEMBL | CHEMBL3186323 |
| ChEBI | CHEBI:78321 |
| EC No. | 202-598-0 |
| DTXSID | DTXSID6029127 |
| 現地名 | L-(-)-乳酸 エチル |
化学・物理的性質
| XLogP | 0.2 |
|---|---|
| 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 | 3 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 79.7 |
| 物質分類 | Flammable agents - 2nd degree |
| Solvents | Solvents -> Esters (<C12) |
| 化粧品 | Cosmetic ingredients (Ethyl Lactate) -> CIR (Cosmetic Ingredient Review)Solvent |
| 香料 | Fragrance Ingredient (Ethyl lactate) -> IFRA transparency List |
| 臭い | Buttery odorFruity butterscotch果物のような匂い |
| 味 | Sweet, fruity, creamy and pineapple like tasteMilk cream taste |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 1.03 at 68 °F (USCG, 1999) - Denser than waterwill sink1.0328 g.cu cm at 20 °C1.029-1.0371.042 @25 °C1.034 g/mL at 20 °C(lit.) |
| 香味料 | EU Flavoring substances |
| Color/Form | Colorless liquid |
| 溶解度 | Miscible with waterMiscible with alcohol, ketones, esters, hydrocarbons, oilMiscible with gasolineMiscible with ether1000 mg/mL at 20 °Csoluble in organic solvents, oilsChloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)溶ける |
| 引火点 | 115 °F (USCG, 1999)46 °C115 °F (46 °C) (Closed Cup)54.6±6.4 °C |
| 融点 | −26 °C(lit.) |
| 比旋光度 | -10 º (neat) |
| 沸点 | 154 °C(lit.) |
| 蒸気密度 | 4.1 (vs air) |
| 蒸気圧 | 2 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.4130(lit.) |
| FEMA | 2440 | ETHYL LACTATE |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | 13.21±0.20(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明～淡黄色 |
| pH | 4 (50g/l, H2O, 20℃) |
| 爆発限界 | 1.5-16.4%(V) |
| Merck | 14,3817 |
| BRN | 1720839 |
| InChI | 1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1 |
| InChIKey | LZCLXQDLBQLTDK-BYPYZUCNSA-N |
| SMILES | C[C@H](O)C(OCC)=O |
| LogP（分配係数） | 0.31 at 20℃ |
| CAS データベース | 687-47-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Propanoic acid, 2-hydroxy-, ethyl ester, (S)-(687-47-8) |
| EPAの化学物質情報 | Propanoic acid, 2-hydroxy-, ethyl ester, (2S)- (687-47-8) |
化学的特性
clear liquid
安全性と法規制
| GHS 分類 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2851) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: Propanoic acid, 2-hydroxy-, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Propanoic acid, 2-hydroxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-hydroxy-, ethyl 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: 28-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28375Propanoic acid, 2-hydroxy-, ethyl ester: HSNO Approval: HSR001150 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Propanoic acid, 2-hydroxy-, ethyl ester: Human health tier II assessment |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 火災の可能性 | Moderate fire risk. |
| 健康有害性 | Inhalation of concentrated vapor may cause drowsiness. Contact with liquid causes mild irritation of eyes and (on prolonged contact) skin. Ingestion may cause narcosis. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 有害性の概要 | It is similar to ethyl acetate with low toxicity. Does not cause skin irritation or sensitizationNo mutagenic effects in bacteriaHigh doses can cause central nervous system depression. [Sullivan, p. 450-1] Inhalation of high concentrations may cause drowsiness |
用途
使用
(-)-Ethyl L-Lactate is a naturally occuring chemical compound that is often used as an industrial solvent in chemical reactions.
一般的な説明
Ethyllactate is an economically viablegreen solvent used in organic synthesis. It is generally employed in organic reactions like multi-component reactions, cycloaddition reaction, asymmetric induction, photochemical synthesis, and ligand-free coupling reactions, etc.