(E)-4-(2,6,6-Trimethylcyclohex-2-En-1-Yl)But-3-En-2-One (E)-4-(2,6,6-三甲基环己-2-烯-1-基)-3-丁烯-2-酮

CAS 127-41-3 MFCD00001565

化学结构图

127-41-3
SMILES: CC(=O)/C=C/C1C(C)=CCCC1(C)C

化学属性

Mol. FormulaC13H20O
Mol. Weight192.30
Refractive index1.4960 to 1.5000
Boiling Point148°C/28mmHg(lit.)
Density0.930
Flash Point104°C(lit.)
TSCAYes
Solubility不溶

别名和识别编码

Chemical Name(E)-4-(2,6,6-Trimethylcyclohex-2-En-1-Yl)But-3-En-2-One
CAS Number127-41-3
Synonym ######## (5E)-Ionone (E)-(±)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (E)-α-Ionone (R,S)-3-(E)-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (±)-trans-α-Ionone (±)-α-Jonon 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-(±)- 4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one 4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one 4-(2,6,6-三甲基-2-环己烯基)-3-丁烯-2-酮 4-(2,6,6-三甲基-2-环己烯基)-3-丁烯-2-酮 alpha-Ionone Alpha-ionone α-Cyclocitrylideneacetone α-Ionone {uni_hamburg} α-Jonon α-Jonone α-紫罗兰酮
PubChem Substance ID87571480
EC Number204-841-6
Beilstein Registry Number7,168
MDL NumberMFCD00001565
Reaxys-RN2046084
Merck Number5056
Chemical Name Translation(E)-4-(2,6,6-三甲基环己-2-烯-1-基)-3-丁烯-2-酮
InChIKeyUZFLPKAIBPNNCA-BQYQJAHWSA-N
LabNetwork Molecule IDLN00197835
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
Canonical SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=O
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分类

  • {SNA} Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Citrus aurantium (Seville orange), Ginkgo biloba, Ketones, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学
  • {SNA} A-D, Alphabetical Listings, Certified Natural Products, Flavors and Fragrances, Halal Certified Products, I-L, Kosher Certified Products
  • {SNA} Building Blocks, C13 to C14, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Citrus aurantium (Seville orange), Ginkgo biloba,
  • {SNA} A-D,

产品应用

  • An aroma compound commonly found in essential oils such as rose oil. It is a degradation products of caratenoids produced by caratenoid cleavage dioxygenases (CCD).

相关文献及参考

  • Susanne, B. et al.: J. Exp. Botany, 61, 2967 (2010); Hu, H. et al.: Arch. Pham. res., 32, 699 (2009);
  • Beil. 7 ,IV,363
  • Arctander , 1777 / Corp MSDS 1 , 2010:C / FT-IR 2 (1), 690:B / FT-IR 1 (1), 445:B / FT-IR 1 (1), 44:B / FT-NMR 1 (1), 686:A / Fenaroli , 373 / IR-Spectra (3), 263:G / IR-Spectra (2), 235:D / NMR-Reference 2 (1), 408:A / RegBook 77 (1), 479:B / RegBook 1 (1), 479:B / Sax 6 , 1624 / Sigma FT-IR 1 (2), 663:A / Structure Index 1 , 68:A:6 / Vapor Phase 3 , 532:C
  • Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • 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-

安全信息

GHS Symbol
WGK Germany2
Hazard Codes Xn
Hazard statements
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Eyeshields, Faceshields, Gloves
RTECSEN0525000
Precautionary statements
  • P342+P311
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
Signal word
Risk Statements
Safety Statements

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. I-N - Kosher Certified Products
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Type - Solvents
  4. Toluene - Solvent by Type
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C13 to C14 - Ketones
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Terpenes

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