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 |
| 应用领域 | Fragrance、Fragrance Ingredients、Fragrance ingredient in perfumery、in cosmetics and personal care products、in household cleaners and detergents. Flavoring agent in beverages、baked goods、and candies、Used as an ingredient in dog cat repellent、attracts adult rose chafers (a beetle) |
登记用途：Fragrance、Fragrance Ingredients、Fragrance ingredient in perfumery、in cosmetics and personal care products、in household cleaners and detergents. Flavoring agent in beverages、baked goods、and candies、Used as an ingredient in dog cat repellent、attracts adult rose chafers (a beetle)。
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。
登记用途：Fragrance、Fragrance Ingredients、Fragrance ingredient in perfumery、in cosmetics and personal care products、in household cleaners and detergents. Flavoring agent in beverages、baked goods、and candies、Used as an ingredient in dog cat repellent、attracts adult rose chafers (a beetle)。
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