辛酸苯乙酯，CAS 登记号 5457-70-5，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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. Boiling Point: 295.00 to 296.00 °C. @ 760.00 mm Hg; Boiling Point: 295.5 °C; 143.5 °C (1.5 mm Hg); Density: 0.973-0.977 (20 °C).
| CAS Registry Number | 5457-70-5 |
|---|---|
| PubChem CID | 229888 |
| Molecular formula | C16H24O2 |
| Molecular weight | 248.18 g/mol |
| IUPAC name | 2-phenylethyl octanoate |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
| UNII (FDA) | 89J4RI53EZ |
| ChEBI ID | CHEBI:171699 |
| FEMA number | 3222 |
| JECFA number | 996 |
| Molecular Weight | 248.36 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 248.177630004 |
| Monoisotopic Mass | 248.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Boiling Point | 295.00 to 296.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 295.5 °C; 143.5 °C (1.5 mm Hg) |
| Density | 0.973-0.977 (20 °C) |
| Refractive Index | 1.479-1.486 |
| 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) |
| 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.
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
CAS 5457-70-5; molecular formula C16H24O2; molecular weight 248.18 g/mol.
Phenethyl octanoate, 2-Phenylethyl octanoate, Phenylethyl octanoate, 2-Phenethyl octanoate, Octanoic acid, phenethyl ester, Octanoic acid, 2-phenylethyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
100% of GHS notifications report no hazard classification (94 of 94).
Boiling Point: 295.00 to 296.00 °C. @ 760.00 mm Hg; Boiling Point: 295.5 °C; 143.5 °C (1.5 mm Hg); Density: 0.973-0.977 (20 °C); Refractive Index: 1.479-1.486.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.