ぎ酸 メチル
ぎ酸 メチル · ぎ酸メチル · メチル=ホルマート · メタン酸メチル · メチルホルマート · 酸メチル · メチルメタノアート · メチル=メタノアート
識別子と物理属性
| CAS No. | 107-31-3 |
|---|---|
| 分子式 | C2H4O2 |
| 平均分子量 | 60.05 g/mol |
| 単同位体質量 | 60.02112937 g/mol |
| SMILES | COC=O |
| InChIKey | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| PubChem CID | 7865 |
| ChEMBL | CHEMBL295026 |
| ChEBI | CHEBI:77699 |
| EC No. | 203-481-7 |
| DTXSID | DTXSID5025609 |
| 現地名 | ぎ酸 メチル |
化学・物理的性質
| XLogP | 0 |
|---|---|
| 極性表面積 | 26.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 4 |
| 形式電荷 | 0 |
| 複雑度 | 18 |
| 物質分類 | Flammable agents - 4th degree |
| Solvents | Solvents -> Esters (<C12) |
| SpringerMaterials Properties | Coriolis coupling |
| LogP（分配係数） | log Kow = 0.03-0.21 |
| 臭い | AgreeablePleasant odor.楽しい納得。 |
| 密度 | 0.977 at 68 °F (USCG, 1999) - Less dense than waterwill float0.987 at 15 °C/15 °CDENSITY OF SATURATED AIR: 1.83 (AIR= 1)Relative density (water = 1): 0.970.975 @ 20°C0.974 g/mL at 20 °C (lit.) |
| 香味料 | EU Flavoring substances |
| Viscosity | 0.325 mPa-s at 25 °C |
| Color/Form | Colorless liquid [Note: A gas above 89 degrees F]. |
| 溶解度 | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)28.35 kJ/mol at 25 °CSoluble in ether, chloroformmiscible with ethanolIn water, 230,000 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 30 (good)30%300g/リットル300g/L(20℃) |
| 引火点 | -26 °F (NTP, 1992)-2 °F-2 °F (-19 °C) (Closed Cup)−16 °F |
| 沸点 | 88.7 °F at 760 mmHg (NTP, 1992)31.5 °C32 °C89 °F31.5 °C @760 [mm Hg]32-34 °C (lit.) |
| 融点 | -100 °C (lit.) |
| 蒸気密度 | 2.1 (vs air) |
| 蒸気圧 | 32.91 psi ( 55 °C) |
| 屈折率 | n20/D 1.343(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| pH | 4-5 (200g/l, H2O, 20℃) |
| 爆発限界 | 5-23%(V) |
| 臭気閾値 | 130ppm |
| 由来生物 | synthetic |
| においのタイプ | フルーティーな |
| 比熱容量 | Cp(liquid): 1.98 J/(g·K)Cp(gas): 1.07 J/(g·K), at 25℃ |
| Merck | 14,6077 |
| BRN | 1734623 |
| ヘンリー定数 | 0.90 at 5.00 °C, 1.18 at 10.00 °C, 1.51 at 15.00 °C, 1.91 at 20.00 °C, 2.36 at 25.00 °C (column stripping-UV, Kutsuna et al., 2005) |
| 誘電率 | 8.5(20℃) |
| 安定性 | 安定。非常に可燃性。空気と爆発性混合物を容易に形成します。引火点が低く、爆発限界が非常に広いことに注意してください。酸化剤と相容れない。 |
| 主な用途 | 洗浄剤化粧品フレーバーそして香料食品および飲料パーソナルケア |
| InChI | 1S/C2H4O2/c1-4-2-3/h2H,1H3 |
| InChIKey | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| SMILES | [H]C(=O)OC |
| LogP（分配係数） | -0.21 at 25℃ |
| CAS データベース | 107-31-3(CAS DataBase Reference) |
| NISTの化学物質情報 | Methyl formate(107-31-3) |
| EPAの化学物質情報 | Methyl formate (107-31-3) |
化学的特性
Methyl formate is a colorless liquid with a pleasant odor. Its solubility in water is 230 g/l at 25 °C (Riddick et al., 1985), but it reacts slowly with water to form formic acid and methyl alcohol (DOT, 1984). It is soluble in ether, chloroform, and is miscible with ethanol (Lide, 2000).
化学性质
ギ酸の加水分解によりギ酸を得るための中间体
安全性と法規制
| GHS 分類 | DangerH224: Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, 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 1.4% (11 of 764) of reports.H224 (98.6%): Extremely flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 規制情報 | Chemical: Formic acid, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Formic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Formic acid, methyl 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: 07-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2054Formic acid, methyl ester: HSNO Approval: HSR001192 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 - Formic acid, methyl ester: Environment tier I assessment |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Behavior in Fire: Vapor is heavier than air and may travel considerable distance to a source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Extremely flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting. Risk of fire and explosion on contact with strong oxidants. |
| 火災の可能性 | Flammable liquid.Mixes with water. Flammable, irritating vapor is produced.Very dangerous fire hazard when exposed to heat or flame. |
| 健康有害性 | Inhalation causes irritation of mucous membranes. Prolonged inhalation can produce narcosis and central nervous symptoms, including some temporary visual disturbance. Contact with liquid irritates eyes and may irritate skin if allowed to remain. Ingestion causes irritation of mouth and stomach and central nervous system depression, including visual disturbances. (USCG, 1999) |
用途
用途
ぎ酸、ホルムアミド、酢酸、DMFなどの基礎化学品、香料及び溶剤、鋳型及び中子製造時の硬化剤、発泡剤及びスプレー剤、一酸化炭素発生源
説明
Methyl Formate, also known as methyl methanoate, is the methyl ester of formic acid. The simplest example of an ester, it is a clear liquid with an ethereal odour, high vapor pressure, and low surface tension. It is an aromatic compound found in apples (Neubeller and Buchloh, 1986), and was identified as a volatile constituent in brewed, roasted, and dried coffee (Lovell et al., 1980); Methyl formate is used primarily to manufacture formamide, dimethylformamide, and formic acid. It is also used as a solvent for quick-drying finishes such as lacquers and in organic synthesis.
使用
Methyl formate is used as a fumigant, as alarvicide for food crops, and as a solvent forcellulose acetate.
一般的な説明
A clear colorless liquid with an agreeable odor. Flash point -27°F. Less dense than water Vapors heavier than air.
製法・合成法
調製方法
In the laboratory, methyl formate can be produced by the condensation reaction of methanol and formic acid, as follows: HCOOH + CH3OH → HCOOCH3 + H2O Industrial methyl formate, however, is usually produced by the combination of methanol and carbon monoxide (carbonylation) in the presence of a strong base, such as sodium methoxide : CH3OH + CO → HCOOCH3 This process, practiced commercially by BASF among other companies gives 96 % selectivity toward methyl formate, although it can suffer from catalyst sensitivity to water, which can be present in the carbon monoxide feedstock, commonly derived from synthesis gas. Very dry carbon monoxide is, therefore, an essential requirement.
合成方法
ナトリウムメチラートが使用されるアルコリシス法で製造される。
純化方法
Wash the formate with strong aqueous Na2CO3, dry it with solid Na2CO3 and distil it from P2O5. (Procedure removes free alcohol or acid.) [Beilstein 2 IV 20.]