3-(羟甲基)-2-庚酮（CAS 65405-68-7）：分子式 C8H16O2、分子量 144.21。
| CAS号 | 65405-68-7 |
|---|---|
| 分子式 | C8H16O2 |
| 分子量 | 144.21 |
| 沸点 | 94.00 to 96.00 °C. @ 9.00 mm Hg |
| LogP | 1.2 |
3-(羟甲基)-2-庚酮 是一种化工化合物，登记 CAS 号为 65405-68-7，分子式 C8H16O2（分子量 144.21）。
登记 CAS 号：65405-68-7
其分子式 C8H16O2 由 8 个碳、16 个氢、2 个氧 组成。
别名/同义词：3-(羟甲基)-2-庚酮 · 3-(hydroxymethyl)heptan-2-one · 3-Octanon-1-ol
3-(羟甲基)-2-庚酮 的 CAS 登记号为 65405-68-7。
分子式 C8H16O2，分子量 144.21。
别名/同义词：3-(羟甲基)-2-庚酮、3-(hydroxymethyl)heptan-2-one、3-Octanon-1-ol。
3-(羟甲基)-2-庚酮（CAS 65405-68-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 65405-68-7 |
|---|---|
| PubChem CID | 5362561 |
| Molecular formula | C8H16O2 |
| Molecular weight | 144.12 g/mol |
| IUPAC name | 3-(hydroxymethyl)heptan-2-one |
| InChIKey | MHOXVRWQBOAOAU-UHFFFAOYSA-N |
| UNII (FDA) | NWU4UN7SMJ |
| ChEBI ID | CHEBI:179943 |
| FEMA number | 2804 |
| JECFA number | 604 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 94.00 to 96.00 °C. @ 9.00 mm Hg |
|---|---|
| Boiling Point | 94.6 °C (8-9 mm Hg) |
| Density | 0.945-0.949 |
| Refractive Index | 1.444-1.447 |
3-(Hydroxymethyl)heptan-2-one; 3-Octanon-1-ol; 3-(Hydroxymethyl)-2-heptanone; 2-Heptanone, 3-(hydroxymethyl)-; FEMA No. 2804; NWU4UN7SMJ; UNII-NWU4UN7SMJ; EINECS 265-739-5; DTXSID30867143; 3-OCTANON-1-OL [FHFI]; 3-HYDROXYMETHYL-2-HEPTANONE; 3-BUTYL-4-HYDROXY-2-BUTANONE; RefChem:92655; DTXCID10815349; (+-)-3-(HYDROXYMETHYL)-2-HEPTANONE; 3-(HYDROXYMETHYL)-2-HEPTANONE, (+-)-
| Regulatory & Food Contact | 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 Secondary components do not raise a safety concern. |
|---|---|
| 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-Octanon-1-ol is identified by CAS 65405-68-7, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII NWU4UN7SMJ; ChEBI 179943; InChIKey MHOXVRWQBOAOAU-UHFFFAOYSA-N. Boiling Point: 94.00 to 96.00 °C. @ 9.00 mm Hg; Boiling Point: 94.6 °C (8-9 mm Hg); Density: 0.945-0.949.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-(hydroxymethyl)heptan-2-one