Allyl octanoate（CAS 4230-97-1）：分子式 C11H20O2、分子量 184.15 g/mol。
| CAS号 | 4230-97-1 |
|---|---|
| 分子式 | C11H20O2 |
| 分子量 | 184.15 g/mol |
| 沸点 | 87.00 to 88.00 °C. @ 5.50 mm Hg |
| LogP | 3.8 |
| 应用领域 | 香精香料 |
登记用途：香精香料。
Allyl octanoate 是一种化工化合物，登记 CAS 号为 4230-97-1，分子式 C11H20O2（分子量 184.15 g/mol）。
登记 CAS 号：4230-97-1
其分子式 C11H20O2 由 11 个碳、20 个氢、2 个氧 组成。
别名/同义词：Allyl octanoate · allyl caprylate
Allyl octanoate 的 CAS 登记号为 4230-97-1。
分子式 C11H20O2，分子量 184.15 g/mol。
别名/同义词：Allyl octanoate、allyl caprylate。
登记用途：香精香料。
Allyl octanoate（CAS 4230-97-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4230-97-1 |
|---|---|
| PubChem CID | 20219 |
| Molecular formula | C11H20O2 |
| Molecular weight | 184.15 g/mol |
| IUPAC name | prop-2-enyl octanoate |
| InChIKey | PZGMUSDNQDCNAG-UHFFFAOYSA-N |
| UNII (FDA) | 17ZH17CKME |
| ChEBI ID | CHEBI:172058 |
| FEMA number | 2037 |
| JECFA number | 5 |
| Molecular Weight | 184.27 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 184.146329876 |
| Monoisotopic Mass | 184.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 87.00 to 88.00 °C. @ 5.50 mm Hg |
|---|---|
| Boiling Point | 222 °C |
| Density | 0.872-0.880 |
| Refractive Index | 1.432-1.434 |
Allyl octanoate; 4230-97-1; Allyl caprylate; 2-Propenyl octanoate; prop-2-enyl octanoate; Octanoic acid, 2-propenyl ester; Allyl octylate; 2-Propenyl octylate; OCTANOIC ACID, ALLYL ESTER; prop-2-en-1-yl octanoate; Allyl n-octanoate; FEMA No. 2037; EINECS 224-184-9; Octanoic acid, 2-propen-1-yl ester; UNII-17ZH17CKME; 17ZH17CKME
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (99.7%), H311 (86%), H315 (13.4%), H319 (13.4%), H335 (13.4%), H301 |
|---|
H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (86%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Allyl octanoate is identified by CAS 4230-97-1, molecular formula C11H20O2 and molecular weight 184.15 g/mol. UNII 17ZH17CKME; ChEBI 172058; InChIKey PZGMUSDNQDCNAG-UHFFFAOYSA-N. Boiling Point: 87.00 to 88.00 °C. @ 5.50 mm Hg; Boiling Point: 222 °C; Density: 0.872-0.880.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Allyl octanoate