beta-Thujone α,β-侧柏酮
CAS 76231-76-0 MFCD00135597
化学结构图
SMILES:
化学属性
| Mol. Formula | C10H16O |
|---|---|
| Mol. Weight | 152.23 |
| Refractive index | n20/D 1.455(lit.) |
| Boiling Point | 84-86 °C/17 mmHg(lit.) |
| Density | 0.925 g/mL at 25 °C(lit.) |
| Flash Point | 64°C(lit.) |
别名和识别编码
| Chemical Name | α,β-Thujone |
|---|---|
| Synonym | 3-Thujanone, (1S,4S, 5R)-(+)- (1S,4S)-thujan-3-one (+)-β-Thujone Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4S,5R)- 3-Thujanone, (1S,4S,5R)-(+)- (-)-1-异丙基-4-甲基双环[3.1.0]己-3-酮 (+)-Thujone d-Isothujone Thujone, (+)- cis-Thujone Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4β,5α)]- (+)-3-Thujone α,β-侧柏酮 d-β-Thujone (+)-isothujone |
| CAS Number | 1125-12-8 |
| PubChem Substance ID | 57653335 |
| MDL Number | MFCD00135597 |
| Beilstein Registry Number | 7(3)379 |
| Merck Number | 9392 |
| Chemical Name Translation | α,β-侧柏酮 |
| InChIKey | USMNOWBWPHYOEA-UHFFFAOYSA-N |
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分类
- {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Ketones, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; alicycle; fused rings; 3ring; 5ring; 6ring; ketone; chiral; 1fragment
- {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- Beil. 7 ,92
- Corp MSDS 1 (2), 3345:B / FT-IR 2 (1), 683:A / FT-NMR 1 (1), 677:A / RegBook 1 (1), 475:A / Structure Index 1 , 67:D:8 / Vapor Phase 3 , 526:A
- 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 (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
- Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
安全信息
GHS Symbol
- H315 Causes skin irritation 会刺激皮肤
- H331 Toxic if inhaled 吸入中毒
- H311 Toxic in contact with skin 皮肤接触中毒
- H301 Toxic if swallowed 吞食有毒
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H319 Causes serious eye irritation 严重刺激眼睛
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H227 Combustible liquid 可燃液体
- 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。
- 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。
- P332+P313
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P301+P312+P330
- P302+P350
- P337+P313
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P302+P352+P312+P362+P364
- P370+P378
- 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。
- P403+P235
- P301+P310
- P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
- P305+P351+P338
- P304+P340+P312
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P305+P351+P338+P337+P313
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
- R42/43
- 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；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- 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；
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