环己基乙酸烯丙酯（CAS 4728-82-9）：分子式 C11H18O2、分子量 182.26。
| CAS号 | 4728-82-9 |
|---|---|
| 分子式 | C11H18O2 |
| 分子量 | 182.26 |
| 沸点 | 60.00 to 63.00 °C. @ 1.00 mm Hg |
| LogP | 3.4 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Cyclohexaneacetic acid、2-propen-1-yl ester: INACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Cyclohexaneacetic acid、2-propen-1-yl ester: INACTIVE。
环己基乙酸烯丙酯 是一种化工化合物，登记 CAS 号为 4728-82-9，分子式 C11H18O2（分子量 182.26）。
登记 CAS 号：4728-82-9
其分子式 C11H18O2 由 11 个碳、18 个氢、2 个氧 组成。
别名/同义词：环己基乙酸烯丙酯 · Allyl cyclohexaneacetate
环己基乙酸烯丙酯 的 CAS 登记号为 4728-82-9。
分子式 C11H18O2，分子量 182.26。
别名/同义词：环己基乙酸烯丙酯、Allyl cyclohexaneacetate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Cyclohexaneacetic acid、2-propen-1-yl ester: INACTIVE。
环己基乙酸烯丙酯（CAS 4728-82-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4728-82-9 |
|---|---|
| PubChem CID | 22034852 |
| Molecular formula | C11H18O2 |
| Molecular weight | 182.13 g/mol |
| IUPAC name | prop-2-enyl 2-cyclohexylacetate |
| InChIKey | UECFOOSFSUDPOR-UHFFFAOYSA-N |
| UNII (FDA) | M6J8835739 |
| ChEBI ID | CHEBI:195881 |
| FEMA number | 2023 |
| JECFA number | 12 |
| Molecular Weight | 182.26 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 182.130679813 |
| Monoisotopic Mass | 182.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 60.00 to 63.00 °C. @ 1.00 mm Hg |
|---|---|
| Boiling Point | 60 °C (1 mm Hg) |
| Density | 0.945-0.965 |
| Refractive Index | 1.455-1.499 |
Allyl cyclohexylacetate; Allyl cyclohexaneacetate; 4728-82-9; Cyclohexylacetic acid allyl ester; 2-Propenyl cyclohexaneacetate; Cyclohexaneacetic acid, 2-propenyl ester; FEMA No. 2023; Allyl hexahydrophenylacetate; Cyclohexaneacetic acid, allyl ester; Acetic acid, cyclohexyl-, allyl ester; 2-Propen-1-yl cyclohexaneacetate; EINECS 225-230-0; prop-2-en-1-yl 2-cyclohexylacetate; BRN 2575626; Cyclohexaneacetic acid, 2-propen-1-yl ester; UNII-M6J8835739
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apricot, Fruit, Peach, Pineapple No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H301, H311 |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Allyl cyclohexaneacetate is identified by CAS 4728-82-9, molecular formula C11H18O2 and molecular weight 182.13 g/mol. UNII M6J8835739; ChEBI 195881; InChIKey UECFOOSFSUDPOR-UHFFFAOYSA-N. Boiling Point: 60.00 to 63.00 °C. @ 1.00 mm Hg; Boiling Point: 60 °C (1 mm Hg); Density: 0.945-0.965.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Allyl cyclohexaneacetate