1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-pent-1-en-3-one 1-(苯并[d][1,3]二噁戊环-5-基)-4,4-二甲基戊-1-烯-3-酮
CAS 2419-68-3 MFCD00017633
化学结构图
SMILES: CC(C)(C)C(=O)C=Cc1ccc2c(c1)OCO2
化学属性
| Mol. Formula | C14H16O3 |
|---|---|
| Mol. Weight | 232.28 |
| Melting Point | 91-93 °C |
| Boiling Point | 358.8±11.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-pent-1-en-3-one |
|---|---|
| MDL Number | MFCD00017633 |
| CAS Number | 2419-68-3 |
| Synonym | (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {} {} {} {} {} {LY} (E)-1-(benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 1-(苯并[d][1,3]二噁戊环-5-基)-4,4-二甲基戊-1-烯-3-酮 |
| InChIKey | LXFNQCGNCFRKRR-FNORWQNLSA-N |
| PubChem Substance ID | 6444507 |
| InChI | InChI=1S/C14H16O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8H,9H2,1-3H3/b7-5+ |
| Canonical SMILES | CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2 |
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分类
- {SNA} Building Blocks, C14, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,41,1978
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H401 Toxictoaquaticlife 对水生生物有毒。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
- P273 Avoid release to the environment. 避免释放到环境中。
- 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。
- P302+P352
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P333+P313
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
