3-辛烯-2-酮(CAS 1669-44-9):分子式 C8H14O、分子量 126.20。
| CAS号 | 1669-44-9 |
|---|---|
| 分子式 | C8H14O |
| 分子量 | 126.20 |
| 沸点 | 100.00 °C. @ 18.00 mm Hg |
| LogP | 2.3 |
3-辛烯-2-酮 是一种化工化合物,登记 CAS 号为 1669-44-9,分子式 C8H14O(分子量 126.20)。
登记 CAS 号:1669-44-9
其分子式 C8H14O 由 8 个碳、14 个氢、1 个氧 组成。
别名/同义词:3-辛烯-2-酮 · 3-OCTEN-2-ONE
3-辛烯-2-酮 的 CAS 登记号为 1669-44-9。
分子式 C8H14O,分子量 126.20。
别名/同义词:3-辛烯-2-酮、3-OCTEN-2-ONE。
3-辛烯-2-酮(CAS 1669-44-9)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 1669-44-9 |
|---|---|
| PubChem CID | 5363229 |
| Molecular formula | C8H14O |
| Molecular weight | 126.10 g/mol |
| IUPAC name | (E)-oct-3-en-2-one |
| InChIKey | ZCFOBLITZWHNNC-VOTSOKGWSA-N |
| UNII (FDA) | M26AH283XV |
| ChEBI ID | CHEBI:89712 |
| FEMA number | 3416 |
| JECFA number | 1128 |
| Molecular Weight | 126.20 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 126.104465066 |
| Monoisotopic Mass | 126.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 100.00 °C. @ 18.00 mm Hg |
|---|---|
| Boiling Point | 75-79 °C (20 mm Hg) |
| Density | 0.834-0.839 |
| Refractive Index | 1.445-1.449 |
3-OCTEN-2-ONE; (E)-Oct-3-en-2-one; 1669-44-9; FEMA No. 3416; oct-3-en-2-one; M26AH283XV; DTXSID1061867; Methyl hexenyl ketone; RefChem:504565; DTXCID2035356; 216-793-3; 18402-82-9; trans-3-Octen-2-one; (3E)-3-Octen-2-one; (E)-3-Octen-2-one; (3E)-oct-3-en-2-one
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dull, Green, Nut, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 6.8% (11 / 161) |
| GHS notification summary | 6.8% (11 / 161) |
|---|---|
| Reported hazard statements | H226 (93.2%) |
This chemical does not meet GHS hazard criteria for 6.8% (11 of 161) of reports.
H226 (93.2%): Flammable liquid and vapor [Warning Flammable liquids]
3-OCTEN-2-ONE is identified by CAS 1669-44-9, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII M26AH283XV; ChEBI 89712; InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-N. Boiling Point: 100.00 °C. @ 18.00 mm Hg; Boiling Point: 75-79 °C (20 mm Hg); Density: 0.834-0.839.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 3-OCTEN-2-ONE