Acetyl Triethyl Citrate (CAS 77-89-4) — formula C14H22O8, molecular weight 318.32; category specialty chemicals.
| CAS Number | 77-89-4 |
|---|---|
| Molecular Formula | C14H22O8 |
| Molecular Weight | 318.32 |
| Melting Point | -40 °C |
| Boiling Point | 137 °C @760 [mm Hg] |
| LogP | 0.6 |
| Applications | Chelated mineral salt for food, feed and nutrition |
| Category | Plastic Additives |
Documented applications: Chelated mineral salt for food, feed and nutrition.
Acetyl Triethyl Citrate is a specialty compound with CAS registry number 77-89-4 and molecular formula C14H22O8 (molecular weight 318.32), belonging to the specialty chemicals segment of chemical raw materials.
CAS number: 77-89-4
Its molecular formula C14H22O8 comprises 14 C, 22 H, 8 O atoms.
Also known as: Acetyl Triethyl Citrate · 乙酰柠檬酸三乙酯
Category: specialty chemicals
The CAS registry number of Acetyl Triethyl Citrate is 77-89-4.
Molecular formula C14H22O8, molecular weight 318.32.
It is also registered under: Acetyl Triethyl Citrate, 乙酰柠檬酸三乙酯.
Recorded applications: Chelated mineral salt for food, feed and nutrition.
Category: Plastic Additives.
Independent reference data for Acetyl Triethyl Citrate (CAS 77-89-4), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰柠檬酸三乙酯