(-)-Alpha-Cedrene (3e)-3-[(4-氟苯基)亚甲基]-2-苯并呋喃-1-酮
CAS 469-61-4 MFCD00063003
化学结构图
SMILES: CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
化学属性
| Mol. Formula | C15H24 |
|---|---|
| Mol. Weight | 204.35 |
| Refractive index | n20/D 1.498 |
| Boiling Point | 261-262 °C(lit.) |
| Density | 0.932 g/mL at 20 °C(lit.) |
| Flash Point | 104°C |
别名和识别编码
| Chemical Name | (-)-Alpha-Cedrene |
|---|---|
| MDL Number | MFCD00063003 |
| CAS Number | 469-61-4 |
| Synonym | CEDREN 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3alpha,3abeta,7beta,8aalpha)]- 3a-beta,7-beta,8a-alpha))-h 7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3(3r-(3-alp (1S,2R,5S)-2,6,6,8-TETRAMETHYLTRICYCLO[5.3.1.0(1.5)]UNDEC-8-ENE (1S,2R,5S)-2,6,6,8-四甲基三环[5.3.1.01.5]十一烷-8-烯 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)- [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene (-)-α-柏木烯 (-)-alpha-CedrenewithG.C. A-柏树烯 (-)-Cedrene (3R-(3alpha,3abeta,7beta,8aalpha))-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen (1S,2R,5S)-2,6,6,8-四甲基三环[5.3.1.01.5]十一碳-8-烯 alpha-柏木烯 alpha-Cedrene 7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,(3r-(3-alpha,3a-beta,7-beta,8a-alpha))1h-3 CEDRENE, (-)-ALPHA- 3abeta,7beta,8aalpha)]-3alph 7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3[3theta-( (-)-ALPHA-CEDRENE A-CEDRENE WITH GC ALPHA-CEDRENE levo-alpha-cedrene [3R-(3α,3Aβ,7β,8Aα)]-2,3,4,7,8,8A-六氢-3,6,8,8-四甲基-1H-3A,7-亚甲基奥 Cedr-8-ene Levo-alpha-cedrene 7-Methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,[3R-(3.alpha.,3a.beta.,7.beta.1H-3a (1S,2R,5S)-2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undec-8-ene CEDRENE |
| PubChem Substance ID | 57647964 |
| EC Number | 207-418-4 |
| Beilstein Registry Number | 3196861 |
| Chemical Name Translation | (3e)-3-[(4-氟苯基)亚甲基]-2-苯并呋喃-1-酮 |
| InChIKey | IRAQOCYXUMOFCW-UQJCBBSYSA-N |
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分类
- {SNA} Asymmetric Synthesis, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Chiral Building Blocks, Complex Molecules, Lavandula angustifolia (Lavendar tea), Nutrition Research, Ocimum basilicum (Basil), Phytochemicals by Plant (Food/Spice/Herb)
- {SNA} Asymmetric Synthesis, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Chiral Building Blocks, Complex Molecules, Lavandula angustifolia (Lavendar tea), Nutrition Research, Ocimum basilicum (Basil), Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学
- {SNA} Asymmetric Sy
- {SNA} Asymmetric Synthesis, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Chiral Building Blocks, Complex
安全信息
GHS Symbol
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- P273 Avoid release to the environment. 避免释放到环境中。
- P305+P351+P338
- P337+P313
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- 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。
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- 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；
- 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；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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；
- R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
- R50 Very toxic to aquatic organisms 对水生生物极毒
- R50/53
其他信息
- 类别:有毒物质
- 外观性质:为微黄色液体。不溶于水，溶于乙醇等有机溶剂。具有柏木、檀香香气。密度：0.932沸点：261-262°C折射率：1.498比旋光度：-88°闪点：104 °C
- 储运特性:库房低温通风干燥
- 比旋光度:-88 °(c=10%, EtOH)
- Sigma Aldrich:469-61-4(sigmaaldrich)
- MOL 文件:469-61-4.mol
- 灭火剂:水,二氧化碳, 泡沫, 干粉
- 刺激数据:皮肤-兔 500 毫克/24小时 轻度
- 用途一:用于合成乙酰基柏木烯、柏木烷酮、环氧柏木烷和柏木烯醛等重要香料。
- 可燃性危险特性:热分解辛辣刺激烟雾
