Tert-Butyl Acetate 醋酸叔丁酯
CAS 540-88-5 MFCD00008807
化学结构图
SMILES: CC(=O)OC(C)(C)C
化学属性
| Mol. Formula | C6H12O2 |
|---|---|
| Mol. Weight | 116 |
| Refractive index | 1.3840 to 1.3880 |
| Density | 0.866 |
| Flash Point | 15°C(lit.) |
| TSCA | Yes |
| Melting Point | -62° |
| Solubility | 不溶于水，溶于乙醇、乙醚等多数有机溶剂。 |
| Boiling Point | 97-98 |
别名和识别编码
| Chemical Name | Tert-Butyl Acetate |
|---|---|
| Synonym | 1,1-Dimethylethyl ethanoate 1,1-Dimethylethylacetate 1,1-Dimethylethylessigsäure 2-methyl-2-propyl acetate 2-methyl-2-propylacetate tert-Butyl alcohol, acetate tert-Butylacetat tert. Butylacetat tert.-Butylacetat ACETIC ACID TERT-BUTYL ESTER Acetic acid t-butyl ester Acetic acid tert-butyl ester CH3C(O)OC(CH3)3 TBAC(TM) TBAc TERT-BUTYL ACETATE Tert-buty acetate tert-Butyl ethanoate tertiarybutylacetate texacoleadappreciator 乙酸叔丁酯 乙酸第三丁酯 羟基二乳酸合钛 醋酸叔丁酯 醋酸叔丁酯;TBAc;叔丁基醋酸酯 |
| CAS Number | 540-88-5 |
| PubChem Substance ID | 10908 |
| EC Number | 208-760-7 |
| Beilstein Registry Number | 1699506 |
| MDL Number | MFCD00008807 |
| Reaxys-RN | 1699506 |
| Merck Number | 1537 |
| Chemical Name Translation | 醋酸叔丁酯 |
| Wiswesser Line Notation | 1X1&1&OV1 |
| LabNetwork Molecule ID | LN00195445 |
| InChI | InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 |
信息真实价格透明
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信息真实价格透明
资金保障
专业采购外包团队在线服务
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现货库存
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分类
- {uni_hamburg} no charge; ester; 1fragment
- {SA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- {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
- Short: II/25D
- Merck:14,1537 Beilstein:2(4)151
- For lithiation with LDA and addition to acetone in quantitative yield, see: J. Am. Chem. Soc., 95, 3050 (1973). Coupling of the lithio-derivative with esters gives high yields of t-butyl 3-oxoalkanoates: Synthesis, 45 (1985).
- Merck:14,1537
- Amino acids can be protected as their t-butyl esters, without prior N-protection, in the presence of perchloric acid in 1,4-dioxane: Liebigs Ann. Chem., 646, 134 (1961); or tosic acid and excess sulfuric acid: Org. Prep. Proced. Int., 18, 13 (1986). See Appendix 6. Mild transesterification of, e.g. methyl esters to the t-butyl analogues in the presence of catalytic KO-t-Bu has been reported: J. Org. Chem., 62, 8240 (1997).
安全信息
GHS Symbol
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H331 Toxic if inhaled 吸入中毒
- 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。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- 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+P330
- P303+P361+P353
- P305+P351+P338
- P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
- P337+P313
- P370+P378
- P403+P233
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- 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；
- S25 Avoid contact with eyes 避免眼睛接触；
- S29 Do not empty into drains 不要排入下水道；
- S33 Take precautionary measures against static discharges 对静电采取预防措施；
- R11 Highly flammable 非常易燃
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R66 Repeated exposure may cause skin dryness or cracking 反复接触可能导致皮肤干燥或皴裂
其他信息
- 图谱信息:醋酸叔丁酯(540-88-5)核磁图( 13 CNMR) 醋酸叔丁酯(540-88-5)红外图谱(IR1) 醋酸叔丁酯(540-88-5)Raman光谱 醋酸叔丁酯(540-88-5)质谱(MS)
- 毒性分级:中毒
- 储运特性:库房通风低温干燥; 与氧化剂分开存放
- 爆炸物危险特性:与空气混合可爆
- Alfa Aesar:乙酸叔丁酯,99% tert-Butyl acetate, 99%(540-88-5)
- 方法一:1.乙酐法将叔丁醇、乙酐和无水氯化锌混匀加热回流2h，然后冷却，蒸馏至温度达110℃，粗馏物用水洗，再用10%碳酸钾洗至中性，用无水碳酸钾干燥，再经蒸馏，收集95-96℃馏分即得成品。2.乙酰氯法将叔丁醇、N,N-二甲基苯胺和无水乙醚混合，加热回流，再加乙酰氯，控制加料温度，维持中等回流速度，加2/3乙酰氯时，N,N-二甲基苯胺盐酸盐结晶，冰浴冷却，然后加热1h。加水使固体物全部溶解，分离醚层，用冷的10%硫酸提取，用饱和碳酸氢钠溶液洗1次，用无水硫酸钠干燥，分馏而得成品。3.乙酰氯-镁法将镁粉、特丁醇和无水乙醚混匀，滴加乙酰氯和无水乙醚溶液，加完冷却，加冷的碳酸钾水溶液，使之分解，用乙醚提取3次，用氯化钙干燥，蒸馏而得成品。
- 用途二:用作化工溶剂、汽油防震剂等
- 用途一:用作硝化纤维等的溶剂
- Acros Organics:乙酸叔丁酯 tert-Butyl acetate, 99+%(540-88-5)
- 类别:易燃液体
- 醋酸叔丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0026 乙酸叔丁酯 tert-Butyl Acetate 500ML 959元 2014/06/02 A0026 乙酸叔丁酯 tert-Butyl Acetate 25ML 176元 2010/06/21 107760025 醋酸叔丁酯 tert-Butyl acetate 99+% 2.5 LT 8135元
- 职业标准:TWA 950 毫克/立方米; STEL 1210 毫克/立方米
- 急性毒性:口服- 大鼠 LD50: 4100 毫克/公斤; 吸入-大鼠 LC50: >; 2230 毫克/立方米/4小时
- 用途三:用作汽油防震添加剂。
- 海关编码:29153990
- MSDS 信息:乙酸叔丁酯(540-88-5).msds
- 上游原料:乙醚 --> 碳酸钾 --> 氯化锌 --> 叔丁醇 --> N,N-二甲基苯胺盐酸
- 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
- 下游产品:拉西地平
- 水解后生成叔丁醇和氯乙酸。
- 刺激数据:皮肤-兔 450 毫克/24小时 轻度; 眼睛-兔 90 毫克 轻度
- MOL 文件:540-88-5.mol
- Sigma Aldrich:540-88-5(sigmaaldrich)
- 灭火剂:干粉、二氧化碳、泡沫
- TCI Shanghai:乙酸叔丁酯 tert-Butyl Acetate,>;99.0%(GC)(540-88-5)
- 外观性质:无色液体。
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