3-羟甲基-2-辛酮(CAS 59191-78-5):分子式 C9H18O2、分子量 158.24。
| CAS号 | 59191-78-5 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 沸点 | 78-84 °C (2 mm Hg) |
| LogP | 1.8 |
3-羟甲基-2-辛酮 是一种化工化合物,登记 CAS 号为 59191-78-5,分子式 C9H18O2(分子量 158.24)。
登记 CAS 号:59191-78-5
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词:3-羟甲基-2-辛酮 · 3-Hydroxymethyl-2-octanone
3-羟甲基-2-辛酮 的 CAS 登记号为 59191-78-5。
分子式 C9H18O2,分子量 158.24。
别名/同义词:3-羟甲基-2-辛酮、3-Hydroxymethyl-2-octanone。
3-羟甲基-2-辛酮(CAS 59191-78-5)的独立参考数据,整理自公开化学数据库。
| 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 |
| Boiling Point | 78-84 °C (2 mm Hg) |
|---|---|
| Density | 0.874-0.878 |
| Refractive Index | 1.416-1.422 |
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
| 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-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.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 3-Hydroxymethyl-2-octanone