化工社化工社 化学情報印刷レポート · 研究参考用
メタンスルホン酸メチル
メタンスルホン酸メチル · as-ジメチルスルファイト · メチル=メタンスルホナート · メチルメタンスルホナート · メタノールメタンスルホナート · メチルメシラート · メチルメタンスルホン酸 · メチルメタン硫酸塩

識別子と物理属性
| CAS No. | 66-27-3 |
|---|---|
| 分子式 | C2H6O3S |
| 平均分子量 | 110.13 g/mol |
| 単同位体質量 | 110.00376505 g/mol |
| SMILES | COS(C)(=O)=O |
| InChIKey | MBABOKRGFJTBAE-UHFFFAOYSA-N |
| PubChem CID | 4156 |
| ChEMBL | CHEMBL313493 |
| ChEBI | CHEBI:25255 |
| EC No. | 200-625-0 |
| DTXSID | DTXSID7020845 |
| 現地名 | メタンスルホン酸メチル |
化学・物理的性質
| XLogP | -0.4 |
|---|---|
| 極性表面積 | 51.8 |
| 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 | 1 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 105 |
| 物質分類 | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | Chemical shift |
| 密度 | 1.2943 at 68 °F (NTP, 1992) - Denser than waterwill sink1.2943 at 20 °C/4 °C1.3 g/mL at 25 °C(lit.) |
| Color/Form | Colorless liquid |
| 溶解度 | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)Solubility in water about 1:5slightly sol in nonpolar solventsSol in dimethyl formamide and in propylene glycol (1 in 1)200g/リットル200g/L(20℃) |
| 引火点 | 220 °F (NTP, 1992) |
| 沸点 | 396 to 397 °F at 760 mmHg (NTP, 1992)203 °C at 753 mm Hg202-203 °C(lit.) |
| 融点 | 68 °F (NTP, 1992)20 °C20°C |
| 蒸気圧 | 0.31 [mmHg]0.8 hPa (59 °C) |
| 屈折率 | Index of refraction 1.4140 at 20 °C/Dn20/D 1.414(lit.) |
| Physical Description | Methyl methanesulfonate is a colorless to amber liquid. (NTP, 1992)Colorless liquidmp = 20 deg C[HSDB] Colorless to amber liquid[CAMEO] Clear faintly yellow liquid[MSDSonline] |
| Other Experimental Properties | ... decompose on distillation at normal pressure ... darken when stored in the absence of light ... form hydrates, are hygroscopic, and dissolve readily in water /Alkanesulfonic acids/ |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色~淡黄色 |
| Merck | 14,6097 |
| BRN | 1098586 |
| ヘンリー定数 | 2.5×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定。可燃性。強酸化剤、強酸、強塩基とは相容れない。 |
| InChI | 1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3 |
| InChIKey | MBABOKRGFJTBAE-UHFFFAOYSA-N |
| SMILES | COS(C)(=O)=O |
| CAS データベース | 66-27-3(CAS DataBase Reference) |
| NISTの化学物質情報 | Methanesulfonic acid, methyl ester(66-27-3) |
| EPAの化学物質情報 | Methyl methanesulfonate (66-27-3) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | DangerH301 (99.5%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 221 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Methanesulfonic acid, methyl esterHazard Traits - CarcinogenicityStatus: Active Update: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17543Methyl methanesulphonate: 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 - Methanesulfonic acid, methyl ester: Human health tier I assessment |
| 輸送ラベル(DOT) | Corrosive Poison |
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin, mucous membranes, nose and respiratory tract. It can cause dermatitis and nausea. Large doses ingested over nearly a year produced gastrointestinal and hepatic toxic effects. |
| 有害性の概要 | At a dose of 2.8-800 mg/kg body weight for up to 350 days, side effects in cancer patients included gastrointestinal and liver injury[HSDB] Embryotoxic at 100 mg/kg in ratsNo human data[REPROTOX] May cause skin, eye, mucous membrane, and respiratory tract irritation[CAMEO] An irritant[MSDSonline] |
| 反応性グループ | Sulfonates, Phosphonates, and Thiophosphonates, Organic |
| Special Reports | National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Methyl Methanesulfonate (66-27-3) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s110meme.pdf] |
用途
用途
重合反応触媒、アルキル化及びエステル化試薬
使用
Methyl methanesulfonate is a DNA adduct that adds methyl groups to Dan at 7-guanine, 3-guanine and 3-adenine.
一般的な説明
Colorless to amber liquid.
製法・合成法
純化方法
Purify the ester by careful fractionation and collecting the middle fraction. Suspected CARCINOGEN. Note that MeSO3H has b 167-167.5o/10mm and methanesulfonic anhydride has b 138o/10mm)—both are possible impurities. [Beilstein 4 IV 11.]