Ethyl hydrogen sebacate (CAS 693-55-0) — formula C12H22O4, molecular weight 230.30; category organic chemicals.
Ethyl hydrogen sebacate is a carbon-based organic compound with CAS registry number 693-55-0 and molecular formula C12H22O4 (molecular weight 230.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 693-55-0
Its molecular formula C12H22O4 comprises 12 C, 22 H, 4 O atoms.
Also known as: Ethyl hydrogen sebacate
Category: organic chemicals
The CAS registry number of Ethyl hydrogen sebacate is 693-55-0.
Molecular formula C12H22O4, molecular weight 230.30.
It is also registered under: Ethyl hydrogen sebacate.
Category: Organic Chemicals.
Public-database records for Ethyl hydrogen sebacate (CAS 693-55-0), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 693-55-0 |
|---|---|
| PubChem CID | 69660 |
| 分子式 | C12H22O4 |
| IUPAC 名称 | 10-ethoxy-10-oxodecanoic acid |
| UNII（FDA） | 5QK6SW872Q |
10-ethoxy-10-oxodecanoic acid; Ethyl hydrogen sebacate; Decanedioic acid, 1-ethyl ester; Monoethyl sebacate; Sebacic acid, monoethyl ester; Decanedioic acid, monoethyl ester; 5QK6SW872Q; EINECS 211-753-1; NSC 53961; NSC-53961; Sebacic acid, ethyl ester; DTXSID80883479; RefChem:585387; DTXCID501023008; 693-55-0; Decanedioic acid monoethyl ester
| 分子量 | 230.30 |
|---|---|
| XLogP3 | 2.8 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 11 |
| 精确质量 | 230.15180918 |
| 单同位素质量 | 230.15180918 |
| 拓扑极性表面积 | 63.6 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
Ethyl hydrogen sebacate · CAS 693-55-0 · C12H22O4. UNII 5QK6SW872Q.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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