trihexyl O-butyrylcitrate (CAS 82469-79-2) — formula C28H50O8, molecular weight 514.7; category organic chemicals.
| CAS Number | 82469-79-2 |
|---|---|
| Molecular Formula | C28H50O8 |
| Molecular Weight | 514.7 |
| LogP | 7.4 |
| Applications | Use Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE.
trihexyl O-butyrylcitrate is a carbon-based organic compound with CAS registry number 82469-79-2 and molecular formula C28H50O8 (molecular weight 514.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82469-79-2
Its molecular formula C28H50O8 comprises 28 C, 50 H, 8 O atoms.
Also known as: trihexyl O-butyrylcitrate · 邻丁酰柠檬酸三己酯 · trihexyl citrate
Category: organic chemicals
The CAS registry number of trihexyl O-butyrylcitrate is 82469-79-2.
Molecular formula C28H50O8, molecular weight 514.7.
It is also registered under: trihexyl O-butyrylcitrate, 邻丁酰柠檬酸三己酯, trihexyl citrate.
Recorded applications: Use Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for trihexyl O-butyrylcitrate (CAS 82469-79-2), compiled from public chemistry databases.
| 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]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 邻丁酰柠檬酸三己酯