Methyl trimethylacetate 三甲基乙酸甲酯
CAS 598-98-1 MFCD00008843
化学结构图
SMILES: COC(=O)C(C)(C)C
化学属性
| Mol. Formula | C6H12O2 |
|---|---|
| Mol. Weight | 116 |
| Refractive index | 1.3880 to 1.3920 |
| Boiling Point | 101 |
| Density | 0.873 |
| Flash Point | 10°C(lit.) |
| TSCA | Yes |
| Melting Point | <-70° |
| Solubility | 微溶于水，可混溶于乙醇、乙醚。 |
别名和识别编码
| Chemical Name | Methyl trimethylacetate |
|---|---|
| Synonym | Methyl pivalate PIVALIC ACID METHYL ESTER 叔戊酸甲酯 methyl pivalate Methyl 2,2-dimethylpropanoate 2,2-二甲基-丙酸甲酯 Methyl 2,2-dimethylpropionate Methylpivalat TRIMETHYLACETIC ACID METHYL ESTER Propanoic acid, 2,2-dimethyl-, methyl ester 2,2-二甲基丙酸甲酯 三甲基乙酸甲酯 特戊酸甲酯 METHYL 2,2-DIMETHYLPROPIONATE |
| CAS Number | 598-98-1 |
| PubChem Substance ID | 69027 |
| EC Number | 209-959-1 |
| Beilstein Registry Number | 1744141 |
| MDL Number | MFCD00008843 |
| Reaxys-RN | 1744141 |
| Chemical Name Translation | 三甲基乙酸甲酯 |
| LabNetwork Molecule ID | LN00010097 |
| InChI | InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3 |
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分类
- {uni_hamburg} no charge; ester; 1fragment
- {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Aldrich MSDS 1 , 1319:B / Corp MSDS 1 (2), 2456:B / FT-IR 2 (1), 964:B / FT-IR 1 (1), 606:A / FT-NMR 1 (1), 917:A / IR-Spectra (3), 362:F / IR-Spectra (2), 322:E / NMR-Reference 2 (1), 512:B / RegBook 1 (1), 689:D / Sigma FT-IR 1 (1), 1459:B / Structure Index 1 , 104:A:4 / Vapor Phase 3 , 620:B
- Beil. 2 ,IV,909
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
- Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and the
安全信息
GHS Symbol
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H302 Harmful if swallowed 吞食有害
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P233 Keep container tightly closed. ?保持容器密闭。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P241+P242+P243
- P242 Use only non-sparking tools. 只能使用无火花工具。
- P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P301+P312
- P301+P317
- P303+P361+P353
- P305+P351+P338
- P330 Rinse mouth. 漱口
- P370+P378
- P403+P235
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
- S33 Take precautionary measures against static discharges 对静电采取预防措施；
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
其他信息
- MOL 文件:598-98-1.mol
- Alfa Aesar:三甲基乙酸甲酯,99% Methyl trimethylacetate, 99%(598-98-1)
- TCI Shanghai:2,2-二甲基丙酸甲酯 Methyl Pivalate,>;98.0%(GC)(598-98-1)
- 三甲基乙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0462 三甲基乙酸甲酯 Methyl Pivalate 500ML 1200元 2014/06/02 P0462 三甲基乙酸甲酯 Methyl Pivalate 25ML 189元 2010/06/21 127951000 三甲基乙酸甲酯 Methyl trimethylacetate 99% 100 ML 397元
- Acros Organics:三甲基乙酸甲酯 Methyl trimethylacetate, 99%(598-98-1)
- 用途一:主要用作工业香料，可用于香皂、洗发香波等，也用作医药中间体
- 类别:易燃液体
- 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
- 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
- Sigma Aldrich:598-98-1(sigmaaldrich)
- MSDS 信息:2,2-二甲基丙酸甲酯(598-98-1).msds
- 外观性质:无色液体。
- 图谱信息:三甲基乙酸甲酯(598-98-1)核磁图( 1 HNMR) 三甲基乙酸甲酯(598-98-1)Raman光谱 三甲基乙酸甲酯(598-98-1)红外图谱(IR2) 三甲基乙酸甲酯(598-98-1)质谱(MS) 三甲基乙酸甲酯(598-98-1)核磁图( 13 CNMR) 三甲基乙酸甲酯(598-98-1)红外图谱(IR1)
- 爆炸物危险特性:与空气混合可爆
- 下游产品:杂氮环丁烷 --> DCJTB --> 2,2,6,6-四甲基-3,5-庚二酮
- 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
- 用途二:用于医药中间体。
- 海关编码:29156090
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