OCTOXYNOL-3 (CAS 2315-67-5) — formula C16H26O2, molecular weight 250.38; category organic chemicals.
OCTOXYNOL-3 is a carbon-based organic compound with CAS registry number 2315-67-5 and molecular formula C16H26O2 (molecular weight 250.38), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2315-67-5
Its molecular formula C16H26O2 comprises 16 C, 26 H, 2 O atoms.
Also known as: OCTOXYNOL-3 · Octoxinol
Category: organic chemicals
The CAS registry number of OCTOXYNOL-3 is 2315-67-5.
Molecular formula C16H26O2, molecular weight 250.38.
It is also registered under: OCTOXYNOL-3, Octoxinol.
Category: Organic Chemicals.
Public-database records for OCTOXYNOL-3 (CAS 2315-67-5), reproduced here for independent cross-checking.
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%), H400 (100%) |
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| 法规与食品接触 | FDA Substance added to food: Use unspecified FDA 21 CFR 中列出的食品接触物质清单：FCS ALPHA-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL)-OMEGA-HYDROXYPOLY(OXYETHYLENE)(1 MOL) CIR / INCI: Cosmetic ingredients (Octoxynol-1) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Surfactant; Emulsifying |
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| CAS 号 | 2315-67-5 |
|---|---|
| PubChem CID | 5590 |
| 分子式 | C16H26O2 |
| 分子量 | 250.19 g/mol |
| IUPAC 名称 | 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol |
| InChIKey | JYCQQPHGFMYQCF-UHFFFAOYSA-N |
| UNII（FDA） | 20CAX7IO75 |
| ChEBI 编号 | CHEBI:177811 |
Triton X 100; DTXSID8034085; RefChem:1100551; DTXCID901325284; 2315-67-5; 4-tert-Octylphenol Monoethoxylate; Octoxynol-1; Octoxinol; Triton X; Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-; 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol; Octoxynol 1; 2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethanol; Igepal CA-210; 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol; 20CAX7IO75
| 分子量 | 250.38 |
|---|---|
| XLogP3 | 4.6 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 250.193280068 |
| 单同位素质量 | 250.193280068 |
| 拓扑极性表面积 | 29.5 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
4-叔辛基苯酚单氧化物 的 CAS 号为 2315-67-5，分子式 C16H26O2，分子量 250.19 g/mol。 UNII 20CAX7IO75; ChEBI 177811; InChIKey JYCQQPHGFMYQCF-UHFFFAOYSA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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