isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate (CAS 97338-28-8) — formula C52H102O4, molecular weight 791.4; category organic chemicals.
isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is a carbon-based organic compound with CAS registry number 97338-28-8 and molecular formula C52H102O4 (molecular weight 791.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97338-28-8
Its molecular formula C52H102O4 comprises 52 C, 102 H, 4 O atoms.
Also known as: isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate · Isocetyl Stearoyl Stearate
Category: organic chemicals
The CAS registry number of isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is 97338-28-8.
Molecular formula C52H102O4, molecular weight 791.4.
It is also registered under: isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate, Isocetyl Stearoyl Stearate.
Category: Organic Chemicals.
Public-database records for isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate (CAS 97338-28-8), reproduced here for independent cross-checking.
| GHS notification summary | 66.7% (4 / 6) |
|---|---|
| Reported hazard statements | H410 (33.3%) |
This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.
H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
| Regulatory & Food Contact | CIR / INCI: Emollient; Viscosity controlling; Skin conditioning |
|---|---|
| GHS notification summary | 66.7% (4 / 6) |
| CAS Registry Number | 97338-28-8 |
|---|---|
| PubChem CID | 44154196 |
| 分子式 | C52H102O4 |
| IUPAC 名称 | 14-methylpentadecyl 12-octadecanoyloxyoctadecanoate |
| UNII（FDA） | IJV4LS383R |
isocetyl stearoyl stearate; 97338-28-8; IJV4LS383R; EINECS 306-621-6; HETESTER HSS; DUB SSIC; CERAPHYL 791; Isohexadecyl 12-((1-oxooctadecyl)oxy)octadecanoate; Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate; AEC ISOCETYL STEAROYL STEARATE; Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, isohexadecyl ester; OCTADECANOIC ACID, 12-((1-OXOOCTADECYL)OXY)-, ISOHEXADECYL ESTER; RefChem:791692; DTXSID301036669; (+-)-ISOCETYL STEAROYL STEARATE; ISOCETYL STEAROYL STEARATE [INCI]
| 分子量 | 791.4 |
|---|---|
| XLogP3 | 23.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 49 |
| 精确质量 | 790.77781173 |
| 单同位素质量 | 790.77781173 |
| 拓扑极性表面积 | 52.6 |
| 重原子数 | 56 |
| 形式电荷 | 0 |
isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate · CAS 97338-28-8 · C52H102O4. UNII IJV4LS383R.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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