3,5,5-三甲基己醛(CAS 5435-64-3):分子式 C9H18O、分子量 142.24。
| CAS号 | 5435-64-3 |
|---|---|
| 分子式 | C9H18O |
| 分子量 | 142.24 |
| 熔点 | less than -60 °C |
| 沸点 | 173 °C |
| LogP | 2.7 |
3,5,5-三甲基己醛 是一种化工化合物,登记 CAS 号为 5435-64-3,分子式 C9H18O(分子量 142.24)。
登记 CAS 号:5435-64-3
其分子式 C9H18O 由 9 个碳、18 个氢、1 个氧 组成。
别名/同义词:3,5,5-三甲基己醛 · 3,5,5-trimethylhexanal
3,5,5-三甲基己醛 的 CAS 登记号为 5435-64-3。
分子式 C9H18O,分子量 142.24。
别名/同义词:3,5,5-三甲基己醛、3,5,5-trimethylhexanal。
3,5,5-三甲基己醛(CAS 5435-64-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 5435-64-3 |
|---|---|
| PubChem CID | 21574 |
| Molecular formula | C9H18O |
| Molecular weight | 142.14 g/mol |
| IUPAC name | 3,5,5-trimethylhexanal |
| InChIKey | WTPYRCJDOZVZON-UHFFFAOYSA-N |
| UNII (FDA) | U62H30BXPJ |
| ChEBI ID | CHEBI:179602 |
| FEMA number | 3524 |
| JECFA number | 269 |
| Molecular Weight | 142.24 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 142.135765193 |
| Monoisotopic Mass | 142.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 173 °C |
|---|---|
| Boiling Point | 67.00 to 68.00 °C. @ 2.50 mm Hg |
| Boiling Point | 67 °C (2.5 mm Hg) |
| Melting Point | less than -60 °C |
| Melting Point | < -60 °C |
| Flash Point | 116 °F; 47 °C; closed cup |
| Density | 0.820 g/cu cm at 20 °C |
| Density | 0.817-0.823 |
| Surface Tension | 25.5 millinewton/m at 20 °C |
| Refractive Index | 1.419-1.424 |
3,5,5-Trimethylhexanal; 5435-64-3; Isononylaldehyde; tert-Butylisopentanal; HEXANAL, 3,5,5-TRIMETHYL-; 3,5,5-Trimethylcapronaldehyde; FEMA No. 3524; green hexanal; Hexanal, 3,5,5-trimethl-; 3,5,5-Trimethyl hexanal; U62H30BXPJ; EINECS 226-603-0; NSC 21482; DTXSID6047107; BRN 1740882; HSDB 7626
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H315, H317 (88.2%), H402, H412, H320 |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
3,5,5-trimethylhexanal is identified by CAS 5435-64-3, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII U62H30BXPJ; ChEBI 179602; InChIKey WTPYRCJDOZVZON-UHFFFAOYSA-N. Boiling Point: 173 °C; Boiling Point: 67.00 to 68.00 °C. @ 2.50 mm Hg; Boiling Point: 67 °C (2.5 mm Hg).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 3,5,5-trimethylhexanal