邻丁酰柠檬酸三己酯(CAS 82469-79-2):分子式 C28H50O8、分子量 514.7。
| CAS号 | 82469-79-2 |
|---|---|
| 分子式 | C28H50O8 |
| 分子量 | 514.7 |
| LogP | 7.4 |
邻丁酰柠檬酸三己酯 是一种化工化合物,登记 CAS 号为 82469-79-2,分子式 C28H50O8(分子量 514.7)。
登记 CAS 号:82469-79-2
其分子式 C28H50O8 由 28 个碳、50 个氢、8 个氧 组成。
别名/同义词:邻丁酰柠檬酸三己酯 · trihexyl O-butyrylcitrate · trihexyl citrate
邻丁酰柠檬酸三己酯 的 CAS 登记号为 82469-79-2。
分子式 C28H50O8,分子量 514.7。
别名/同义词:邻丁酰柠檬酸三己酯、trihexyl O-butyrylcitrate、trihexyl citrate。
邻丁酰柠檬酸三己酯(CAS 82469-79-2)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 82469-79-2 |
|---|---|
| PubChem CID | 133914 |
| Molecular formula | C28H50O8 |
| IUPAC name | trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate |
| UNII (FDA) | M4974DI70C |
| Molecular Weight | 514.7 |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 27 |
| Exact Mass | 514.35056855 |
| Monoisotopic Mass | 514.35056855 |
| Topological Polar Surface Area | 105 |
| Heavy Atom Count | 36 |
| Collision Cross Section | 240.45 Ų [M+H]+ |
|---|---|
| Collision Cross Section | 245.25 Ų [M+Na]+ |
| Collision Cross Section | 348.02 Ų [2M+Na]+ |
82469-79-2; Butyryl trihexyl citrate; Butyryl-n-trihexylcitrate; BTHC; DTXSID0047535; M4974DI70C; Butyl-n-trihexyl-citrate; CITROFLEX B 6; DTXCID8027535; 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester; 413-890-4; RefChem:571909; Trihexyl O-butyrylcitrate; trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate; n-butyltri-n-hexyl citrate; 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester
| GHS notification summary | 94.7% (36 / 38) |
|---|
| GHS notification summary | 94.7% (36 / 38) |
|---|---|
| Reported hazard statements | H400 (50%), H410 (100%) |
This chemical does not meet GHS hazard criteria for 94.7% (36 of 38) of all reports.
Reported as not meeting GHS hazard criteria by 36 of 38 companies (only 5.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
trihexyl citrate · CAS 82469-79-2 · C28H50O8. UNII M4974DI70C. Collision Cross Section: 240.45 Ų [M+H]+; Collision Cross Section: 245.25 Ų [M+Na]+; Collision Cross Section: 348.02 Ų [2M+Na]+.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: trihexyl O-butyrylcitrate