3-羟甲基-2-辛酮，CAS 登记号 59191-78-5，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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本页已列出 3-羟甲基-2-辛酮 的 CAS 号：59191-78-5，可与随货 COA 核对。
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3-Hydroxymethyl-2-octanone is identified by CAS 59191-78-5, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 9O1364HRDW; ChEBI 179882; InChIKey XLFYWCDNLLZTIW-UHFFFAOYSA-N. Boiling Point: 78-84 °C (2 mm Hg); Density: 0.874-0.878; Refractive Index: 1.416-1.422.
| CAS Registry Number | 59191-78-5 |
|---|---|
| PubChem CID | 62148 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | 3-(hydroxymethyl)octan-2-one |
| InChIKey | XLFYWCDNLLZTIW-UHFFFAOYSA-N |
| UNII (FDA) | 9O1364HRDW |
| ChEBI ID | CHEBI:179882 |
| FEMA number | 3292 |
| JECFA number | 1839 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 78-84 °C (2 mm Hg) |
|---|---|
| Density | 0.874-0.878 |
| Refractive Index | 1.416-1.422 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
3-(Hydroxymethyl)octan-2-one; 3-(Hydroxymethyl)-2-octanone; 2-Octanone, 3-(hydroxymethyl)-; FEMA No. 3292; 3-Hydroxymethyl-2-octanone; EINECS 261-652-1; UNII-9O1364HRDW; 9O1364HRDW; DTXSID00866744; 3-(HYDROXYMETHYL)-2-OCTANONE [FHFI]; RefChem:92656; DTXCID50815000; (+-)-3-HYDROXYMETHYL-2-OCTANONE; 59191-78-5; hydroxymethyl hexyl ethyl ketone; SCHEMBL3506400
CAS 59191-78-5; molecular formula C9H18O2; molecular weight 158.13 g/mol.
3-(Hydroxymethyl)octan-2-one, 3-(Hydroxymethyl)-2-octanone, 2-Octanone, 3-(hydroxymethyl)-, FEMA No. 3292, 3-Hydroxymethyl-2-octanone, EINECS 261-652-1.
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 (89 of 89).
Boiling Point: 78-84 °C (2 mm Hg); Density: 0.874-0.878; Refractive Index: 1.416-1.422.
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.