4-(2,5,6,6-Tetramethylcyclohex-2-En-1-Yl)But-3-En-2-One 4-(2,5,6,6-四甲基-2-环己烯-1-基)-3-丁烯-2-酮
CAS 79-69-6 MFCD00042628
化学结构图
SMILES: CC(=O)C=CC1C(C)=CCC(C)C1(C)C
化学属性
| Mol. Formula | C14H22O |
|---|---|
| Mol. Weight | 206.32 |
| Density | 0.934 g/mL at 20 °C(lit.) |
| Refractive index | n20/D 1.492 |
别名和识别编码
| Chemical Name | 4-(2,5,6,6-Tetramethylcyclohex-2-En-1-Yl)But-3-En-2-One |
|---|---|
| Synonym | 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2 |
| MDL Number | MFCD00042628 |
| CAS Number | 79-69-6 |
| PubChem Substance ID | 5371002 |
| Beilstein Registry Number | 1343498 |
| EC Number | 201-219-6 |
| Chemical Name Translation | 4-(2,5,6,6-四甲基-2-环己烯-1-基)-3-丁烯-2-酮 |
| Wiswesser Line Notation | L6UTJ A1 D1 E1 E1 F1U1V1 |
| InChI | InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+ |
| Canonical SMILES | O=C(C=CC1C(=CCC(C)C1(C)C)C)C |
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分类
- {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Ketones, Organic Building Blocks
安全信息
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1950 mg/kg/8W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 33,3069,1973
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