紫罗兰酮(CAS 127-41-3):分子式 C13H20O、分子量 192.30。
| CAS号 | 127-41-3 |
|---|---|
| 分子式 | C13H20O |
| 分子量 | 192.30 |
| 沸点 | 258 °C at 760 mm Hg |
| LogP | log Kow = 3.85 |
紫罗兰酮 是一种化工化合物,登记 CAS 号为 127-41-3,分子式 C13H20O(分子量 192.30)。
登记 CAS 号:127-41-3
其分子式 C13H20O 由 13 个碳、20 个氢、1 个氧 组成。
别名/同义词:紫罗兰酮 · Alpha-Ionone
紫罗兰酮 的 CAS 登记号为 127-41-3。
分子式 C13H20O,分子量 192.30。
别名/同义词:紫罗兰酮、Alpha-Ionone。
紫罗兰酮(CAS 127-41-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 127-41-3 |
|---|---|
| PubChem CID | 5282108 |
| Molecular formula | C13H20O |
| Molecular weight | 192.15 g/mol |
| IUPAC name | (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| InChIKey | UZFLPKAIBPNNCA-BQYQJAHWSA-N |
| UNII (FDA) | I9V075M61R |
| ChEBI ID | CHEBI:32319 |
| FEMA number | 2594 |
| JECFA number | 388 |
| Molecular Weight | 192.30 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.151415257 |
| Monoisotopic Mass | 192.151415257 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 258 °C at 760 mm Hg |
|---|---|
| Boiling Point | 237 °C |
| Flash Point | 118 °C (244 °F) - closed cup |
| Solubility | In water, 106 mg/L at 25 °C |
| Density | 0.9319 at 20/4 °C |
| Density | 0.927-0.933 |
| LogP | log Kow = 3.85 |
| Refractive Index | 1.497-1.502 |
ALPHA-IONONE; 127-41-3; (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; (E)-alpha-Ionone; trans-alpha-Ionone; alpha-(E)-ionone; alpha-Ionon; (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; FEMA No. 2594; alpha-Cyclocitrylideneacetone; DTXSID0035160; I9V075M61R; DTXCID8015160; CHEBI:32319; (E)-(1)-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
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Violet, Wood JECFA ADI: 0-0.1 mg/kg bw (1984) |
|---|
| Reported hazard statements | H315, H317, H334 |
|---|
Reported as not meeting GHS hazard criteria by 1609 of 1789 companies
Aggregated GHS information provided per 1789 reports by companies from 10 notifications to the ECHA C&L Inventory.
Alpha-Ionone is identified by CAS 127-41-3, molecular formula C13H20O and molecular weight 192.15 g/mol. UNII I9V075M61R; ChEBI 32319; InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N. Boiling Point: 258 °C at 760 mm Hg; Boiling Point: 237 °C; Flash Point: 118 °C (244 °F) - closed cup.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Alpha-Ionone