柠檬酸三辛酯，CAS 登记号 76414-35-2，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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Trioctyl citrate · CAS 76414-35-2 · C30H56O7. UNII BXW1GAI4TA.
| CAS Registry Number | 76414-35-2 |
|---|---|
| PubChem CID | 9828350 |
| Molecular formula | C30H56O7 |
| IUPAC name | trioctyl 2-hydroxypropane-1,2,3-tricarboxylate |
| UNII (FDA) | BXW1GAI4TA |
| Molecular Weight | 528.8 |
|---|---|
| XLogP3 | 9.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 29 |
| Exact Mass | 528.40260412 |
| Monoisotopic Mass | 528.40260412 |
| Topological Polar Surface Area | 99.1 |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Regulatory & Food Contact | CIR / INCI: Cosmetic ingredients (Tricaprylyl Citrate) -> CIR (Cosmetic Ingredient Review) |
|---|
| Reported hazard statements | H413 (100%) |
|---|
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Trioctyl citrate; Tricaprylyl citrate; Bernel ester TCC; Tri-n-octyl citrate; Citric acid, trioctyl ester; BXW1GAI4TA; UNII-BXW1GAI4TA; Tricaprylyl citrate [INCI]; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trioctyl ester; DTXSID30167837; RefChem:190949; DTXCID6090328; 16502-99-1; 76414-35-2; SCHEMBL28058; APVVRLGIFCYZHJ-UHFFFAOYSA-N
CAS 76414-35-2; molecular formula C30H56O7; molecular weight — g/mol.
Trioctyl citrate, Tricaprylyl citrate, Bernel ester TCC, Tri-n-octyl citrate, Citric acid, trioctyl ester, BXW1GAI4TA.
Documented regulatory listings: CIR / INCI: Cosmetic ingredients (Tricaprylyl Citrate) -> CIR (Cosmetic Ingredient Review).
Hazard statements reported: H413.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.