2-十一酮(CAS 112-12-9):分子式 C11H22O、分子量 170.29。
| CAS号 | 112-12-9 |
|---|---|
| 分子式 | C11H22O |
| 分子量 | 170.29 |
| 熔点 | 15 °C |
| 沸点 | 231.5 °C |
| LogP | 4.1 |
2-十一酮 是一种化工化合物,登记 CAS 号为 112-12-9,分子式 C11H22O(分子量 170.29)。
登记 CAS 号:112-12-9
其分子式 C11H22O 由 11 个碳、22 个氢、1 个氧 组成。
别名/同义词:2-十一酮 · 2-Undecanone
2-十一酮 的 CAS 登记号为 112-12-9。
分子式 C11H22O,分子量 170.29。
别名/同义词:2-十一酮、2-Undecanone。
2-十一酮(CAS 112-12-9)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 112-12-9 |
|---|---|
| PubChem CID | 8163 |
| Molecular formula | C11H22O |
| Molecular weight | 170.17 g/mol |
| IUPAC name | undecan-2-one |
| InChIKey | KYWIYKKSMDLRDC-UHFFFAOYSA-N |
| UNII (FDA) | YV5DSO8CY9 |
| ChEBI ID | CHEBI:17700 |
| FEMA number | 3093 |
| JECFA number | 296 |
| Molecular Weight | 170.29 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 8 |
| Exact Mass | 170.167065321 |
| Monoisotopic Mass | 170.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 12 |
| Boiling Point | 231.5 °C |
|---|---|
| Boiling Point | 231.00 to 232.00 °C. @ 760.00 mm Hg |
| Boiling Point | 231-232 °C |
| Boiling Point | 223 °C @760 [mm Hg] |
| Melting Point | 15 °C |
| Melting Point | 12 °C |
| Flash Point | 192 °F (89 °C) (Closed cup) |
| Density | 0.8260 to 0.8263 at 20 °C/4 °C |
| Density | 0.822 -0.826 |
| Density | 0.829 @ 30°C |
2-Undecanone; Undecan-2-one; Methyl nonyl ketone; 112-12-9; 2-Hendecanone; Rue ketone; METHYL N-NONYL KETONE; Ketone, methyl nonyl; Nonyl methyl ketone; MGK Dog and Cat Repellent; FEMA No. 3093; DTXSID2021943; YV5DSO8CY9; NSC-4028; DTXCID301943; CHEBI:17700
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fresh, Green, Orange, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 15.2% (271 / 1781) |
| GHS notification summary | 15.2% (271 / 1781) |
|---|---|
| Reported hazard statements | H400 (84.3%) |
This chemical does not meet GHS hazard criteria for 15.2% (271 of 1781) of reports.
H400 (84.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
2-Undecanone is identified by CAS 112-12-9, molecular formula C11H22O and molecular weight 170.17 g/mol. UNII YV5DSO8CY9; ChEBI 17700; InChIKey KYWIYKKSMDLRDC-UHFFFAOYSA-N. Boiling Point: 231.5 °C; Boiling Point: 231.00 to 232.00 °C. @ 760.00 mm Hg; Boiling Point: 231-232 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 2-Undecanone