基本情報
- CAS
623-53-0- 標準SMILES
CCOC(=O)OC- InChIKey
JBTWLSYIZRCDFO-UHFFFAOYSA-N- 分子式
- C4H8O3
- 平均分子量
- 104.1 g/mol
- 単同位体質量
- 104.04734411
名称と識別子
- 優先名称
- Ethyl methyl carbonate
- IUPAC
- ethyl methyl carbonate
- 現地名
- 炭酸エチルメチル
- 英語名
- Ethyl methyl carbonate
- 分子式
- C4H8O3
- 分子量
- 104.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
623-53-0- PubChem CID
- 522046
- DTXSID
DTXSID6074592- UNII
- OU358HAE25
- EC Number
- 433-480-9、613-014-2
- Nikkaji
- J495B
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 35.5 Ų
- 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
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 60
実験および物理化学的性質
物理化学的性質
- 融点
- -14.5 ℃ · -14.5℃
- 沸点
- 107 °C · 107 °C
- 比重(密度)
- 1.006 g/mL · 1.006 g/mL at 25 °C
- 蒸気圧
- 43 hPa · 43hPa at 25℃
- 屈折率
- 20 · n20/D 1.378
- 闪点
- 23 °C · 23°C
- 貯蔵温度
- 2 · 2-8°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 46.8 · 46.8-47.1g/L at 20℃
- 湿度
- 10 ppm · <10ppm
- InChI
- InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
- InChIKey
- JBTWLSYIZRCDFO-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)OCC
- LogP
- 0.972 at · 0.972 at 40℃
- CAS データベース
- 623 · 623-53-0(CAS DataBase Reference)
- NISTの化学物質情報
- 2 H5OCOOCH3 · C2H5OCOOCH3(623-53-0)
- EPAの化学物質情報
- Carbonic acid, ethyl methyl ester (623-53-0)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 7.9% (15 of 189) of reports.
Danger
H225 (92.1%): Highly Flammable liquid and vapor [Danger 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)
Aggregated GHS information provided per 189 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 15 of 189 reports by companies.;There is 1 notification provided by 174 of 189 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Carbonic acid, ethyl methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonic acid, ethyl 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: 04-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8109;Status: Active Update: 29-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5747;Status: Active Update: 07-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/12928;Status: Cease Manufacture Update: 15-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1897;Status: Cease Manufacture Update: 12-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6708
Hazard Classes and Categories
Flam. Liq. 2 (39.5%);Flam. Liq. 3 (59.7%);Skin Irrit. 2 (55.6%);Eye Irrit. 2 (56.5%);STOT SE 3 (34.7%)
Flam. Liq. 2 (92.1%)
法規制情報
Regulatory Information
Carbonic acid, ethyl methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonic acid, ethyl 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: 04-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8109;Status: Active Update: 29-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5747;Status: Active Update: 07-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/12928;Status: Cease Manufacture Update: 15-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1897;Status: Cease Manufacture Update: 12-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6708
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3272
- hs_code
- 29209090
- risk_code
- 10-36/37/38
- 化審法
- 新規公示化学物質(2011年3月31日以前届出)
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 16-36/37-26
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
General Manufacturing Information
Transportation Equipment Manufacturing;Electrical Equipment, Appliance, and Component Manufacturing;Other (requires additional information);All Other Chemical Product and Preparation Manufacturing
Carbonic acid, ethyl methyl ester: ACTIVE
応用分野
説明Ethyl methyl carbonate (EMC) is an asymmetric aliphatic organic carbonate. It is a colorless transparent liquid widely used as an excellent solvent for lithium-ion battery electrolytes. EMC increases the solubility of lithium ions improving the capacity density and power of batteries. This compound has excellent thermal conductivity and low electrical resistance, extending the working temperature range of electrolytes, improving lithium batteries' safety, and prolonging their service life. EMC is usually obtained by metal oxide-catalyzed transesterification over dimethyl carbonate and diethyl carbonate. High percentage yields are obtained if the reaction is carried out in liquid or vapor phase[1].
使用Non-aqueous solvent for Li-ion batteries
一般的な説明This product has been enhanced for energy efficiency.
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