3-Ethylpentan-3-Ol 3-乙基-3-戊醇
CAS 597-49-9 MFCD00004484
化学结构图
SMILES: CCC(O)(CC)CC
化学属性
| Mol. Formula | C7H16O |
|---|---|
| Mol. Weight | 116 |
| Refractive index | 1.4280 to 1.4320 |
| Boiling Point | 143°C |
| Density | 0.824 g/mL at 25 °C(lit.) |
| Flash Point | 40°C(lit.) |
| TSCA | Yes |
| Melting Point | -13° |
别名和识别编码
| Chemical Name | 3-Ethylpentan-3-Ol |
|---|---|
| Synonym | 3-乙基-3-戊醇 3-Pentanol, 3-ethyl- Triethylcarbinol 3-Ethyl-3-hydroxypentane 3-ethyl-pentan-3-ol 3-Aethyl-pentanol-(3) Triethylmethanol 1,1-Diethyl-1-propanol 3-ethylpentan-3-ol 3-Ethyl-3-pentanol 三乙基甲醇 3-ethyl-3-pentanol |
| CAS Number | 597-49-9 |
| PubChem Substance ID | 11702 |
| EC Number | 209-902-0 |
| Beilstein Registry Number | 1,417 |
| MDL Number | MFCD00004484 |
| Reaxys-RN | 1731643 |
| Chemical Name Translation | 3-乙基-3-戊醇 |
| InChIKey | XKIRHOWVQWCYBT-UHFFFAOYSA-N |
| Wiswesser Line Notation | QX2&2&2 |
| LabNetwork Molecule ID | LN01742138 |
| InChI | InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3 |
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分类
- {SNA} Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
- {uni_hamburg} no charge; alcohol; 1fragment
- Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
相关文献及参考
- Beil. 1 ,IV,1750
- Aldrich MSDS 1 , 927:D / Corp MSDS 1 (1), 1645:B / FT-IR 2 (1), 183:C / FT-IR 1 (1), 126:D / FT-NMR 1 (1), 190:C / IR-Spectra (3), 77:G / IR-Spectra (2), 75:C / NMR-Reference 2 (1), 119:B / RegBook 1 (1), 137:G / Structure Index 1 , 16:D:4 / Vapor Phase 3 , 183:B
- 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 their wavelength dependence (dispensio
安全信息
GHS Symbol
- H226 Flammable liquid and vapour 易燃液体和蒸气
- H315 Causes skin irritation 会刺激皮肤
- H318 Causes serious eye damage 严重伤害眼睛
- H302 Harmful if swallowed 吞食有害
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- P233 Keep container tightly closed. ?保持容器密闭。
- 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。
- P303+P361+P353
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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。
- P370+P378
- 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
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P403+P235
- P241+P242+P243
- R10 Flammable 易燃
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
- R22 Harmful if swallowed 吞咽有害
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- 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；
- S39 Wear eye/face protection 戴眼睛/面孔保护装置；
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955
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