2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate (CAS 90052-75-8) — formula C56H110O4, molecular weight 847.5; category organic chemicals.
2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is a carbon-based organic compound with CAS registry number 90052-75-8 and molecular formula C56H110O4 (molecular weight 847.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 90052-75-8
Its molecular formula C56H110O4 comprises 56 C, 110 H, 4 O atoms.
Also known as: 2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate · Octyldodecyl Stearoyl Stearate
Category: organic chemicals
The CAS registry number of 2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is 90052-75-8.
Molecular formula C56H110O4, molecular weight 847.5.
It is also registered under: 2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate, Octyldodecyl Stearoyl Stearate.
Category: Organic Chemicals.
Public-database records for 2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate (CAS 90052-75-8), reproduced here for independent cross-checking.
| GHS notification summary | 80.8% (59 / 73) |
|---|---|
| Reported hazard statements | H410 (19.2%) |
This chemical does not meet GHS hazard criteria for 80.8% (59 of 73) of all reports.
H410 (19.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
| Regulatory & Food Contact | CIR / INCI: Cosmetic ingredients (Octyldodecyl Stearoyl Stearate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Viscosity controlling; Emollient |
|---|---|
| GHS notification summary | 80.8% (59 / 73) |
| CAS Registry Number | 90052-75-8 |
|---|---|
| PubChem CID | 174782 |
| 分子式 | C56H110O4 |
| IUPAC 名称 | 2-octyldodecyl 12-octadecanoyloxyoctadecanoate |
| UNII（FDA） | 3D47Q6D93C |
Octyldodecyl stearoyl stearate; 90052-75-8; 3D47Q6D93C; JEECHEM OSS; PELEMOL ODSS; CORUM 5047; DTXSID90869042; Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, 2-octyldodecyl ester; Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldodecyl ester; RefChem:856132; DTXCID20817076; 289-991-0; EINECS 289-991-0; UNII-3D47Q6D93C; 2-OCTYLDODECYL 12-[(1-OXOOCTADECYL)OXY]OCTADECANOATE; 2-Octyldodecyl 12-((1-oxooctadecyl)oxy)octadecanoate
| 分子量 | 847.5 |
|---|---|
| XLogP3 | 25.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 53 |
| 精确质量 | 846.84041199 |
| 单同位素质量 | 846.84041199 |
| 拓扑极性表面积 | 52.6 |
| 重原子数 | 60 |
| 形式电荷 | 0 |
2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate · CAS 90052-75-8 · C56H110O4. UNII 3D47Q6D93C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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