1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate (CAS 94481-68-2) — formula C55H104O6, molecular weight 861.4; category organic chemicals.
| CAS Number | 94481-68-2 |
|---|---|
| Molecular Formula | C55H104O6 |
| Molecular Weight | 861.4 |
| LogP | 23.2 |
| Category | Organic Chemicals |
1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate is a carbon-based organic compound with CAS registry number 94481-68-2 and molecular formula C55H104O6 (molecular weight 861.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94481-68-2
Its molecular formula C55H104O6 comprises 55 C, 104 H, 6 O atoms.
Also known as: 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate · 1-[[(1-氧代十六烷基)氧基]甲基]-2-[(1-氧代十八烷基)氧基]乙基(E)-9-十八碳烯酸酯
Category: organic chemicals
The CAS registry number of 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate is 94481-68-2.
Molecular formula C55H104O6, molecular weight 861.4.
It is also registered under: 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate, 1-[[(1-氧代十六烷基)氧基]甲基]-2-[(1-氧代十八烷基)氧基]乙基(E)-9-十八碳烯酸酯.
Category: Organic Chemicals.
Independent reference data for 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate (CAS 94481-68-2), compiled from public chemistry databases.
| CAS 号 | 94481-68-2 |
|---|---|
| PubChem CID | 12989321 |
| 分子式 | C55H104O6 |
| IUPAC 名称 | [3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] octadecanoate |
| UNII（FDA） | NS00093379 |
| Molecular Weight | 861.4 |
|---|---|
| XLogP3 | 23.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 53 |
| Exact Mass | 860.78329103 |
| Monoisotopic Mass | 860.78329103 |
| Topological Polar Surface Area | 78.9 |
| Heavy Atom Count | 61 |
QXPXMOHHFYONAC-BYCLXTJYSA-N; DTXSID401118703; 1-(HEXADECANOYLOXY)-3-(OCTADECANOYLOXY)PROPAN-2-YL (9E)-OCTADEC-9-ENOATE; NS00093379; 9-Octadecenoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, (E)-
1-[[(1-氧代十六烷基)氧基]甲基]-2-[(1-氧代十八烷基)氧基]乙基(E)-9-十八碳烯酸酯 · CAS 94481-68-2 · C55H104O6. UNII NS00093379.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.