Pivaldehyde 特戊醛
CAS 630-19-3 MFCD00006962
化学结构图
SMILES: CC(C)(C)C=O
化学属性
| Mol. Formula | C5 |
|---|---|
| Mol. Weight | 86 |
| Density | 0.793 |
| Refractive index | 1.3780 to 1.3810 |
| Boiling Point | 75°C |
| Melting Point | 6 |
| Flash Point | 20°C(lit.) |
| TSCA | Yes |
| Solubility | 可忽略 |
| Appearance | 无色液体，密度 ; 0.793 ,熔点 ; 6°C ,沸点 ; 75°C ,折射率 ; 1.3775-1.3795 ,闪点 ; -15°C, 水溶性 ; Negligible |
| pH | :A |
别名和识别编码
| Chemical Name | Pivaldehyde |
|---|---|
| CAS Number | 630-19-3 |
| Synonym | PIVALALDEHYDE 2-Dimethylpropanal tert-Butylformaldehyde tert-Butylformaldehyde tert-Pentanal alpha,alpha-Dimethylpropionaldehyde NSC 22043 三甲基乙醛, CA 75% IN TERT-BUTANOL 三甲基乙醛 新戊醛 2,2-dimethylpropionaldehyde 2,2-Dimethylpropanal Neopentaldehyde 三甲基乙醛 特戊醛 |
| MDL Number | MFCD00006962 |
| EC Number | 211-134-6 |
| Beilstein Registry Number | 1(4)3295 |
| PubChem Substance ID | 87574974 |
| Reaxys-RN | 506060 |
| Chemical Name Translation | 特戊醛 |
| LabNetwork Molecule ID | LN00008862 |
| InChI | InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3 |
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分类
- Aliphatics
- {uni_hamburg} no charge; aldehyde; 1fragment
- Miscellaneous Reagents
- {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
产品应用
- 常用于醇醛凝缩反应，也用于（TMS-CN）研究乙醛的非对称氰化。
相关文献及参考
- Merck: 14,10483
- Short: II/24C
- For use in the protection of asparagine as a tetrahydropyrimidinone derivative, see: Org. Synth. Coll., 9, 17 (1998). For use of this system in ɑ-alkylation of (S)-asparagine with self-regeneration of the stereogenic center, see: J. Org. Chem., 63, 4706 (1998).
- Merck: 14,10483 Beilstein:1(4)3295
- For formation of the fused pyrrolidino-oxazolidinone from L-proline, catalyzed by trifluoroacetic acid, and use of the product in a synthesis of ɑ-branched amino acids, see: Org. Synth. Coll., 9, 626 (1998):
- Promotes the epoxidation of alkenes with molecular oxygen: Tetrahedron Lett., 33, 6827 (1992).
- The imine formed with ethylamine has been used to convert aryl chlorides to the hindered tertiary amides: N-ethyl-N-(1-methoxy-2,2-dimethylpropyl)benzamides, which can be ortho metallated cleanly at higher temperatures than other amide systems: J. Org. Chem., 60, 8417 (1995).
- Derivatizing agent for amino acids, forming oxazolidinones as volatile derivatives for GC: Anal. Biochem., 49, 442 (1972); Aust. J. Biol. Sci., 26, 831 (1973).
- Short: II/24B
安全信息
GHS Symbol
- 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；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
- S46 If swallowed, seek medical advice immediately and show this container or label 食入时，立即求医并出示容器/标签；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R11 Highly flammable 非常易燃
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
- 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+P242+P243
- 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。
- 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。
- P302+P352+P332+P313+P362+P364
- P303+P361+P353
- P305+P351+P338
- P305+P351+P338+P337+P313
- P332+P313
- P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P370+P378
- P403+
- P403+P235
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
其他信息
- 特戊醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L0289202 三甲基乙醛，97% 25g 988元 2011/04/16 P0847 三甲基乙醛(含叔丁醇) Pivalaldehyde (contains tert-Butanol) 25ML 1100元 2010/06/21 368360050 特戊醛 Pivaldehyde 97% 5 GR 618元
- 下游产品:2,2-二甲基-1,3-丙二醇 --> 异恶草酮 --> (S)-2-甲基脯氨酸
- MOL 文件:630-19-3.mol
- Acros Organics:Pivaldehyde, remainder 20% tert-butanol, ca 80%(630-19-3)
- 用途一:常用于醇醛凝缩反应，也用于（TMS-CN）研究乙醛的非对称氰化。
- Sigma Aldrich:630-19-3(sigmaaldrich)
- MSDS 信息:Trimethylacetaldehyde(630-19-3).msds
- 几乎不溶于水。
- 敏感性:Air Sensitive
- TCI Shanghai:2,2-二甲基丙醛(含叔丁醇) Pivalaldehyde (contains tert-Butanol),>;80.0%(GC)(630-19-3)
- Alfa Aesar:三甲基乙醛,ca75%intert-butanol Trimethylacetaldehyde, ca 75% in tert-butanol(630-19-3)
- F:8
- 图谱信息:特戊醛(630-19-3)核磁图( 1 HNMR) 特戊醛(630-19-3)Raman光谱 特戊醛(630-19-3)红外图谱(IR1) 特戊醛(630-19-3)质谱(MS) 特戊醛(630-19-3)核磁图( 13 CNMR)
