TRIETHYL ACONITATE (CAS 5349-99-5) — formula C12H18O6, molecular weight 258.27; category organic chemicals.
| CAS Number | 5349-99-5 |
|---|---|
| Molecular Formula | C12H18O6 |
| Molecular Weight | 258.27 |
| LogP | 1.1 |
| Category | Organic Chemicals |
TRIETHYL ACONITATE is a carbon-based organic compound with CAS registry number 5349-99-5 and molecular formula C12H18O6 (molecular weight 258.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5349-99-5
Its molecular formula C12H18O6 comprises 12 C, 18 H, 6 O atoms.
Also known as: TRIETHYL ACONITATE · 乌头酸乙酯
Category: organic chemicals
The CAS registry number of TRIETHYL ACONITATE is 5349-99-5.
Molecular formula C12H18O6, molecular weight 258.27.
It is also registered under: TRIETHYL ACONITATE, 乌头酸乙酯.
Category: Organic Chemicals.
Independent reference data for TRIETHYL ACONITATE (CAS 5349-99-5), compiled from public chemistry databases.
| CAS 号 | 5349-99-5 |
|---|---|
| PubChem CID | 111067 |
| 分子式 | C12H18O6 |
| IUPAC 名称 | triethyl prop-1-ene-1,2,3-tricarboxylate |
| UNII（FDA） | NS00044576 |
| Molecular Weight | 258.27 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 258.11033829 |
| Monoisotopic Mass | 258.11033829 |
| Topological Polar Surface Area | 78.9 |
| Heavy Atom Count | 18 |
Triethyl 1-propene-1,2,3-tricarboxylate; RefChem:899468; 883-906-6; triethyl prop-1-ene-1,2,3-tricarboxylate; 4950-02-1; Aconitic acid triethyl ester; orb1695003; SCHEMBL3303689; DTXSID30964242; IDDWGDKSBYYEPL-UHFFFAOYSA-N; DB-052346; NS00044576; propene-1,2,3-tricarboxylic acid triethyl ester
| GHS 通报统计 | 77.1% (37 / 48) |
|---|
| GHS 通报统计 | 77.1% (37 / 48) |
|---|---|
| 已通报的危害声明 | H226 (22.9%) |
乌头酸乙酯 · CAS 5349-99-5 · C12H18O6. UNII NS00044576.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乌头酸乙酯