丁酸正辛酯，CAS 登记号 110-39-4，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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octyl butyrate is identified by CAS 110-39-4, molecular formula C12H24O2 and molecular weight 200.18 g/mol. UNII 5YEU4O369L; ChEBI 89726; InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N. Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Melting Point: -55.6 °C.
| CAS Registry Number | 110-39-4 |
|---|---|
| PubChem CID | 61030 |
| Molecular formula | C12H24O2 |
| Molecular weight | 200.18 g/mol |
| IUPAC name | octyl butanoate |
| InChIKey | PWLNAUNEAKQYLH-UHFFFAOYSA-N |
| UNII (FDA) | 5YEU4O369L |
| ChEBI ID | CHEBI:89726 |
| FEMA number | 2807 |
| JECFA number | 155 |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 244 °C |
| Melting Point | -55.6 °C |
| Density | 0.8549 (30 °C) |
| Refractive Index | 1.421-1.434 |
| 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% (240 / 240) |
| GHS notification summary | 100% (240 / 240) |
|---|
This chemical does not meet GHS hazard criteria for 100% (240 of 240) of all reports.
Reported as not meeting GHS hazard criteria by 240 of 240 companies. For more detailed information, please visit ECHA C&L website.
Octyl butyrate; Octyl butanoate; BUTANOIC ACID, OCTYL ESTER; n-Octyl butyrate; Butyric acid, octyl ester; n-Octyl n-butyrate; n-Octyl butanoate; Octyl butyrate (natural); octylbutyrate; FEMA No. 2807; Caprylyl Butyrate; EINECS 203-762-4; UNII-5YEU4O369L; NSC-72032; 5YEU4O369L; AI3-24204
CAS 110-39-4; molecular formula C12H24O2; molecular weight 200.18 g/mol.
Octyl butyrate, Octyl butanoate, BUTANOIC ACID, OCTYL ESTER, n-Octyl butyrate, Butyric acid, octyl ester, n-Octyl n-butyrate.
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 (240 of 240).
Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Melting Point: -55.6 °C; Density: 0.8549 (30 °C).
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.