4-Methylcyclohexaneacetic Acid 4-甲基环己烷乙酸
CAS 6603-71-0 MFCD00074993
化学结构图
SMILES: CC1CCC(CC(=O)O)CC1
化学属性
| Mol. Formula | C9H16O2 |
|---|---|
| Mol. Weight | 156.22 |
| Melting Point | 73-74 °C |
别名和识别编码
| Chemical Name | 4-Methylcyclohexaneacetic Acid |
|---|---|
| MDL Number | MFCD00074993 |
| PubChem Substance ID | 3616945 |
| CAS Number | 6603-71-0 |
| Synonym | 2-(4-Methylcyclohexyl)acetic acid {LY} 2-(4-Methylcyclohexyl)acetic acid {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-Methylcyclohexyl)aceti |
| Chemical Name Translation | 4-甲基环己烷乙酸 |
| LabNetwork Molecule ID | LN00222827 |
| InChI | InChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
| Canonical SMILES | O=C(O)CC1CCC(C)CC1 |
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分类
- Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; carboxylic acid; 1fragment
- {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
相关文献及参考
- Beil. 9 ,23
- FT-IR 2 (1), 833:B / FT-NMR 1 (1), 833:C / RegBook 1 (1), 583:K / Structure Index 1 , 83:A:9
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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), and carbon-13 (subvol. D) 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.
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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