乙酸3-辛酯，CAS 登记号 4864-61-3，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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本页已列出 乙酸3-辛酯 的 CAS 号：4864-61-3，可与随货 COA 核对。
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3-octyl acetate is identified by CAS 4864-61-3, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 8M41FR2J6W; ChEBI 179545; InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N. Boiling Point: 187 °C; Density: 0.856-0.860; Refractive Index: 1.414-1.419.
| CAS Registry Number | 4864-61-3 |
|---|---|
| PubChem CID | 521238 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | octan-3-yl acetate |
| InChIKey | STZUZYMKSMSTOU-UHFFFAOYSA-N |
| UNII (FDA) | 8M41FR2J6W |
| ChEBI ID | CHEBI:179545 |
| FEMA number | 3583 |
| JECFA number | 313 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Boiling Point | 187 °C |
|---|---|
| Density | 0.856-0.860 |
| Refractive Index | 1.414-1.419 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/59 |
|---|---|
| GHS notification summary | 8.4% (122 / 1451) |
| GHS notification summary | 8.4% (122 / 1451) |
|---|---|
| Reported hazard statements | H226 (88.6%) |
This chemical does not meet GHS hazard criteria for 8.4% (122 of 1451) of reports.
H226 (88.6%): Flammable liquid and vapor [Warning Flammable liquids]
3-Octyl acetate; octan-3-yl acetate; 3-Octanol, acetate; 4864-61-3; 3-Octanol acetate; Oct-3-yl ethanoate; 1-Ethyl hexyl acetate; Amyl ethyl carbinyl acetate; 3-Octanol, 3-acetate; FEMA No. 3583; 3-Octyl acetate (natural); UNII-8M41FR2J6W; 3-OCTANYL ACETATE; EINECS 225-471-1; 8M41FR2J6W; Octan-3-ol acetate
CAS 4864-61-3; molecular formula C10H20O2; molecular weight 172.15 g/mol.
3-Octyl acetate, octan-3-yl acetate, 3-Octanol, acetate, 4864-61-3, 3-Octanol acetate, Oct-3-yl ethanoate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
8.4% of GHS notifications report no hazard classification (122 of 1451).
Boiling Point: 187 °C; Density: 0.856-0.860; Refractive Index: 1.414-1.419.
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.