正辛酸对甲苯酯（CAS 59558-23-5）：分子式 C15H22O2、分子量 234.33。
| CAS号 | 59558-23-5 |
|---|---|
| 分子式 | C15H22O2 |
| 分子量 | 234.33 |
| 沸点 | 265 °C |
| LogP | 5 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Octanoic acid、4-methylphenyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Octanoic acid、4-methylphenyl ester: ACTIVE。
正辛酸对甲苯酯 是一种化工化合物，登记 CAS 号为 59558-23-5，分子式 C15H22O2（分子量 234.33）。
登记 CAS 号：59558-23-5
其分子式 C15H22O2 由 15 个碳、22 个氢、2 个氧 组成。
别名/同义词：正辛酸对甲苯酯 · p-tolyl octanoate
正辛酸对甲苯酯 的 CAS 登记号为 59558-23-5。
分子式 C15H22O2，分子量 234.33。
别名/同义词：正辛酸对甲苯酯、p-tolyl octanoate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Octanoic acid、4-methylphenyl ester: ACTIVE。
正辛酸对甲苯酯（CAS 59558-23-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 59558-23-5 |
|---|---|
| PubChem CID | 43046 |
| Molecular formula | C15H22O2 |
| Molecular weight | 234.16 g/mol |
| IUPAC name | (4-methylphenyl) octanoate |
| InChIKey | ALRYNTSLFYRKGF-UHFFFAOYSA-N |
| UNII (FDA) | 065NCY25ZE |
| ChEBI ID | CHEBI:196146 |
| FEMA number | 3733 |
| JECFA number | 703 |
| Molecular Weight | 234.33 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 234.161979940 |
| Monoisotopic Mass | 234.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 17 |
| Boiling Point | 265 °C |
|---|---|
| Density | 0.952-0.960 |
| Refractive Index | 1.478-1.488 |
p-Tolyl octanoate; p-Cresyl octanoate; 4-Methylphenyl octanoate; p-Tolyl n-octanoate; p-Cresyl caprylate; n-Octanoic acid p-tolyl ester; Narcissin K; Octanoic acid, 4-methylphenyl ester; para-Tolyl octanoate; Methylphenyl octanoate, p-; Tolyl octanoate, P-; Cresyl octanoate, p-; FEMA No. 3733; EINECS 261-803-1; p-Cresyl capryrate; UNII-065NCY25ZE
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
p-tolyl octanoate is identified by CAS 59558-23-5, molecular formula C15H22O2 and molecular weight 234.16 g/mol. UNII 065NCY25ZE; ChEBI 196146; InChIKey ALRYNTSLFYRKGF-UHFFFAOYSA-N. Boiling Point: 265 °C; Density: 0.952-0.960; Refractive Index: 1.478-1.488.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: p-tolyl octanoate