反式乌头酸，CAS 登记号 4023-65-8，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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trans-Aconitic acid · CAS 4023-65-8 · C6H6O6. UNII 7DB37960CW. Melting Point: 187 - 191 °C; Solubility: 472.5 mg/mL; LogP: -0.140.
| CAS Registry Number | 4023-65-8 |
|---|---|
| PubChem CID | 444212 |
| Molecular formula | C6H6O6 |
| IUPAC name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| UNII (FDA) | 7DB37960CW |
| Molecular Weight | 174.11 |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.01643791 |
| Monoisotopic Mass | 174.01643791 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Melting Point | 187 - 191 °C |
|---|---|
| Solubility | 472.5 mg/mL |
| LogP | -0.140 |
| Collision Cross Section | 148.2 Ų [M+Na]+ |
| Collision Cross Section | 131.4 Ų [M-H]- |
| Collision Cross Section | 152 Ų [M+H]+ |
| GHS notification summary | 50% (7 / 14) |
|---|
| GHS notification summary | 50% (7 / 14) |
|---|---|
| Reported hazard statements | H315 (50%), H319 (50%), H335 (42.9%) |
This chemical does not meet GHS hazard criteria for 50% (7 of 14) of reports.
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
trans-Aconitic acid; 4023-65-8; (E)-prop-1-ene-1,2,3-tricarboxylic acid; trans-Aconitate; (1E)-prop-1-ene-1,2,3-tricarboxylic acid; Aconitic acid, (E)-; DTXSID1048706; 1-Propene-1,2,3-tricarboxylic acid, (1E)-; 7DB37960CW; NSC-43980; DTXCID8028632; CHEBI:32806; FEMA NO. 2010, E-; RefChem:1100251; 223-688-6; (E)-1-Propene-1,2,3-tricarboxylic acid
CAS 4023-65-8; molecular formula C6H6O6; molecular weight — g/mol.
trans-Aconitic acid, 4023-65-8, (E)-prop-1-ene-1,2,3-tricarboxylic acid, trans-Aconitate, (1E)-prop-1-ene-1,2,3-tricarboxylic acid, Aconitic acid, (E)-.
50% of GHS notifications report no hazard classification (7 of 14).
Melting Point: 187 - 191 °C; Solubility: 472.5 mg/mL; LogP: -0.140; Collision Cross Section: 148.2 Ų [M+Na]+.
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.