trans-Aconitic acid (CAS 4023-65-8) — formula C6H6O6, molecular weight 174.11; category organic chemicals.
trans-Aconitic acid (CAS 4023-65-8) is a chemical raw material in the organic chemicals category. Its molecular formula C6H6O6 comprises 6 C, 6 H, 6 O atoms. Its molecular weight is about 174.11. Reported physicochemical data: melting point around 187 - 191 °C, LogP about -0.140. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 4023-65-8 |
|---|---|
| Molecular Formula | C6H6O6 |
| Molecular Weight | 174.11 |
| Melting Point | 187 - 191 °C |
| LogP | -0.140 |
| Applications | 1-Propene-1, 3-tricarboxylic acid, (1E)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: 1-Propene-1, 3-tricarboxylic acid, (1E)-: ACTIVE.
trans-Aconitic acid is a carbon-based organic compound with CAS registry number 4023-65-8 and molecular formula C6H6O6 (molecular weight 174.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4023-65-8
Its molecular formula C6H6O6 comprises 6 C, 6 H, 6 O atoms.
Also known as: trans-Aconitic acid · 反式乌头酸
Category: organic chemicals
The CAS registry number of trans-Aconitic acid is 4023-65-8.
Molecular formula C6H6O6, molecular weight 174.11.
It is also registered under: trans-Aconitic acid, 反式乌头酸.
Recorded applications: 1-Propene-1, 3-tricarboxylic acid, (1E)-: ACTIVE.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for trans-Aconitic acid (CAS 4023-65-8), compiled from public chemistry databases.
| 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 |
| 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]+ |
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
| 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 · CAS 4023-65-8 · C6H6O6. UNII 7DB37960CW. Melting Point: 187 - 191 °C; Solubility: 472.5 mg/mL; LogP: -0.140.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 反式乌头酸