Phenethyl octanoate (CAS 5457-70-5) — formula C16H24O2, molecular weight 248.18 g/mol.
Phenethyl octanoate is a chemical compound with CAS registry number 5457-70-5 and molecular formula C16H24O2 (molecular weight 248.18 g/mol).
CAS number: 5457-70-5
Its molecular formula C16H24O2 comprises 16 C, 24 H, 2 O atoms.
Also known as: Phenethyl octanoate · 2-phenylethyl caprylate
The CAS registry number of Phenethyl octanoate is 5457-70-5.
Molecular formula C16H24O2, molecular weight 248.18 g/mol.
It is also registered under: Phenethyl octanoate, 2-phenylethyl caprylate.
Public-database records for Phenethyl octanoate (CAS 5457-70-5), reproduced here for independent cross-checking.
| GHS notification summary | 100% (94 / 94) |
|---|
This chemical does not meet GHS hazard criteria for 100% (94 of 94) of all reports.
Reported as not meeting GHS hazard criteria by 94 of 94 companies. For more detailed information, please visit ECHA C&L website.
| 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 |
|---|---|
| GHS notification summary | 100% (94 / 94) |
| 沸点 | 295.00 to 296.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 295.5 °C; 143.5 °C (1.5 mm Hg) |
| 密度 | 0.973-0.977 (20 °C) |
| 折射率 | 1.479-1.486 |
| CAS Registry Number | 5457-70-5 |
|---|---|
| PubChem CID | 229888 |
| 分子式 | C16H24O2 |
| 分子量 | 248.18 g/mol |
| IUPAC 名称 | 2-phenylethyl octanoate |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
| UNII（FDA） | 89J4RI53EZ |
| ChEBI 编号 | CHEBI:171699 |
| FEMA 编号 | 3222 |
| JECFA 编号 | 996 |
Phenethyl octanoate; 2-Phenylethyl octanoate; Phenylethyl octanoate; 2-Phenethyl octanoate; Octanoic acid, phenethyl ester; Octanoic acid, 2-phenylethyl ester; Phenethyl caprylate; Phenylethyl caprylate; Phenylethyl n-octanoate; FEMA No. 3222; UNII-89J4RI53EZ; 89J4RI53EZ; EINECS 226-718-6; NSC 23950; NSC-23950; 2-Phenylethyl-n-octanoate
| 分子量 | 248.36 |
|---|---|
| XLogP3 | 5.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 10 |
| 精确质量 | 248.177630004 |
| 单同位素质量 | 248.177630004 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
Phenethyl octanoate is identified by CAS 5457-70-5, molecular formula C16H24O2 and molecular weight 248.18 g/mol. UNII 89J4RI53EZ; ChEBI 171699; InChIKey ASETYIALRXDVDF-UHFFFAOYSA-N. 沸点: 295.00 to 296.00 °C. @ 760.00 mm Hg; 沸点: 295.5 °C; 143.5 °C (1.5 mm Hg); 密度: 0.973-0.977 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.