乙酰柠檬酸三乙酯（CAS 77-89-4）：分子式 C14H22O8、分子量 318.32；类别 特种化学品。
| CAS号 | 77-89-4 |
|---|---|
| 分子式 | C14H22O8 |
| 分子量 | 318.32 |
| 熔点 | -40 °C |
| 沸点 | 137 °C @760 [mm Hg] |
| LogP | 0.6 |
| 类别 | 塑料助剂 |
乙酰柠檬酸三乙酯 是一种特种功能化合物，登记 CAS 号为 77-89-4，分子式 C14H22O8（分子量 318.32），归属于特种化学品大类化工原料。
登记 CAS 号：77-89-4
其分子式 C14H22O8 由 14 个碳、22 个氢、8 个氧 组成。
别名/同义词：乙酰柠檬酸三乙酯 · Acetyl Triethyl Citrate
所属分类：特种化学品
乙酰柠檬酸三乙酯 的 CAS 登记号为 77-89-4。
分子式 C14H22O8，分子量 318.32。
别名/同义词：乙酰柠檬酸三乙酯、Acetyl Triethyl Citrate。
所属分类：塑料助剂。
乙酰柠檬酸三乙酯（CAS 77-89-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 77-89-4 |
|---|---|
| PubChem CID | 6504 |
| Molecular formula | C14H22O8 |
| IUPAC name | triethyl 2-acetyloxypropane-1,2,3-tricarboxylate |
| UNII (FDA) | 5WBR36T90E |
| Molecular Weight | 318.32 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 13 |
| Exact Mass | 318.13146766 |
| Monoisotopic Mass | 318.13146766 |
| Topological Polar Surface Area | 105 |
| Heavy Atom Count | 22 |
| Boiling Point | 137 °C @760 [mm Hg] |
|---|---|
| Melting Point | -40 °C |
| Density | 1.135 @ 20°C |
| Vapor Pressure | 0.01 [mm Hg] @20 °C |
| Collision Cross Section | 244.35 Ų [2M+Na]+ |
| Collision Cross Section | 174.36 Ų [M+Na]+ |
77-89-4; Acetyl triethyl citrate; Acetyltriethyl citrate; 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester; NSC-3887; 5WBR36T90E; 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester; RefChem:552517; 201-066-5; Triethyl 2-acetoxypropane-1,2,3-tricarboxylate; Triethyl O-acetylcitrate; ATEC; Citroflex A 2; Triethyl 2-acetylcitrate; Triethyl acetylcitrate; O-Acetylcitric acid triethyl ester
| Regulatory & Food Contact | FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS CIR / INCI: Cosmetic ingredients (Acetyl Triethyl Citrate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Plasticiser; Film forming |
|---|---|
| GHS notification summary | 12.9% (207 / 1604) |
| GHS notification summary | 12.9% (207 / 1604) |
|---|---|
| Reported hazard statements | H317 (83.3%) |
This chemical does not meet GHS hazard criteria for 12.9% (207 of 1604) of reports.
H317 (83.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Acetyl Triethyl Citrate · CAS 77-89-4 · C14H22O8. UNII 5WBR36T90E. Boiling Point: 137 °C @760 [mm Hg]; Melting Point: -40 °C; Density: 1.135 @ 20°C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Acetyl Triethyl Citrate