辛酸己酯，CAS 登记号 1117-55-1，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；有机化学品。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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HEXYL OCTANOATE is identified by CAS 1117-55-1, molecular formula C14H28O2 and molecular weight 228.21 g/mol. UNII GU3S7YK802; ChEBI 87490; InChIKey PBGWNXWNCSSXCO-UHFFFAOYSA-N. Boiling Point: 277 °C; Melting Point: -31 °C; Density: 0.857-0.864(d20/4).
| CAS Registry Number | 1117-55-1 |
|---|---|
| PubChem CID | 14228 |
| Molecular formula | C14H28O2 |
| Molecular weight | 228.21 g/mol |
| IUPAC name | hexyl octanoate |
| InChIKey | PBGWNXWNCSSXCO-UHFFFAOYSA-N |
| UNII (FDA) | GU3S7YK802 |
| ChEBI ID | CHEBI:87490 |
| FEMA number | 2575 |
| JECFA number | 175 |
| Molecular Weight | 228.37 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 228.208930132 |
| Monoisotopic Mass | 228.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Boiling Point | 277 °C |
|---|---|
| Melting Point | -31 °C |
| Density | 0.857-0.864(d20/4) |
| Refractive Index | 1.428-1.433 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Herb, Oil No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (283 / 283) |
| GHS notification summary | 100% (283 / 283) |
|---|
This chemical does not meet GHS hazard criteria for 100% (283 of 283) of all reports.
Reported as not meeting GHS hazard criteria by 283 of 283 companies. For more detailed information, please visit ECHA C&L website.
Hexyl octanoate; Hexyl caprylate; n-Hexyl caprylate; OCTANOIC ACID, HEXYL ESTER; Hexyl octylate; FEMA No. 2575; Hexyl octanoate (natural); DTXSID8047636; FEMA 2575; Caproyl caprylate; EINECS 214-247-9; UNII-GU3S7YK802; BRN 1769635; GU3S7YK802; AI3-33727; N-HEXYL-N-OCTANOATE
CAS 1117-55-1; molecular formula C14H28O2; molecular weight 228.21 g/mol.
Hexyl octanoate, Hexyl caprylate, n-Hexyl caprylate, OCTANOIC ACID, HEXYL ESTER, Hexyl octylate, FEMA No. 2575.
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 (283 of 283).
Boiling Point: 277 °C; Melting Point: -31 °C; Density: 0.857-0.864(d20/4); Refractive Index: 1.428-1.433.
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.