cis-aconitate (CAS 585-84-2) — formula C6H6O6, molecular weight 174.11; category organic chemicals.
cis-aconitate (CAS 585-84-2) 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 125 °C, boiling point around 542.00 to 543.00 °C. @ 760.00 mm Hg, 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 | 585-84-2 |
|---|---|
| Molecular Formula | C6H6O6 |
| Molecular Weight | 174.11 |
| Melting Point | 125 °C |
| Boiling Point | 542.00 to 543.00 °C. @ 760.00 mm Hg |
| LogP | -0.140 |
| Applications | 1-Propene-1, 3-tricarboxylic acid, (1Z)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: 1-Propene-1, 3-tricarboxylic acid, (1Z)-: ACTIVE.
cis-aconitate is a carbon-based organic compound with CAS registry number 585-84-2 and molecular formula C6H6O6 (molecular weight 174.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 585-84-2
Its molecular formula C6H6O6 comprises 6 C, 6 H, 6 O atoms.
Also known as: cis-aconitate · 顺乌头酸
Category: organic chemicals
The CAS registry number of cis-aconitate is 585-84-2.
Molecular formula C6H6O6, molecular weight 174.11.
It is also registered under: cis-aconitate, 顺乌头酸.
Recorded applications: 1-Propene-1, 3-tricarboxylic acid, (1Z)-: 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 cis-aconitate (CAS 585-84-2), compiled from public chemistry databases.
| CAS Registry Number | 585-84-2 |
|---|---|
| PubChem CID | 643757 |
| Molecular formula | C6H6O6 |
| IUPAC name | (Z)-prop-1-ene-1,2,3-tricarboxylic acid |
| UNII (FDA) | OF5471ZHRR |
| 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 |
| Boiling Point | 542.00 to 543.00 °C. @ 760.00 mm Hg |
|---|---|
| Melting Point | 125 °C |
| Solubility | 400.0 mg/mL |
| LogP | -0.140 |
cis-Aconitic acid; 585-84-2; (Z)-prop-1-ene-1,2,3-tricarboxylic acid; cis-aconitate; (1Z)-prop-1-ene-1,2,3-tricarboxylic acid; cis-Aconic acid; (Z)-1-Propene-1,2,3-tricarboxylic acid; (Z)-Aconitic acid; cis-Oxaloacetic acid; NSC 7616; Aconitic acid, cis-; Aconitic acid, (Z)-; MFCD00063184; cis-1-propene-1,2,3-tricarboxylic acid; propene-1,2,3-tricarboxylicacid; 1-Propene-1,2,3-tricarboxylic acid, (1Z)-
| GHS notification summary | 33.3% (3 / 9) |
|---|
| GHS notification summary | 33.3% (3 / 9) |
|---|---|
| Reported hazard statements | H302 (11.1%), H315 (66.7%), H319 (66.7%), H332 (11.1%), H335 (66.7%) |
This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
cis-aconitate · CAS 585-84-2 · C6H6O6. UNII OF5471ZHRR. Boiling Point: 542.00 to 543.00 °C. @ 760.00 mm Hg; Melting Point: 125 °C; Solubility: 400.0 mg/mL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 顺乌头酸