Hydroxycitronellal diethyl acetal (CAS 7779-94-4) — formula C14H30O3, molecular weight 246.22 g/mol.
Hydroxycitronellal diethyl acetal is a chemical compound with CAS registry number 7779-94-4 and molecular formula C14H30O3 (molecular weight 246.22 g/mol).
CAS number: 7779-94-4
Its molecular formula C14H30O3 comprises 14 C, 30 H, 3 O atoms.
Also known as: Hydroxycitronellal diethyl acetal · 8,8-diethoxy-2,6-dimethyloctan-2-ol
The CAS registry number of Hydroxycitronellal diethyl acetal is 7779-94-4.
Molecular formula C14H30O3, molecular weight 246.22 g/mol.
It is also registered under: Hydroxycitronellal diethyl acetal, 8,8-diethoxy-2,6-dimethyloctan-2-ol.
Public-database records for Hydroxycitronellal diethyl acetal (CAS 7779-94-4), reproduced here for independent cross-checking.
| GHS notification summary | 100% (121 / 121) |
|---|
This chemical does not meet GHS hazard criteria for 100% (121 of 121) of all reports.
Reported as not meeting GHS hazard criteria by 121 of 121 companies. For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral Not evaluated |
|---|---|
| GHS notification summary | 100% (121 / 121) |
| 沸点 | 135.00 °C. @ 3.00 mm Hg |
|---|---|
| 沸点 | 260 °C; 135 °C (3 mm Hg) |
| 密度 | 0.902-0.908 |
| 折射率 | 1.435-1.440 |
| CAS Registry Number | 7779-94-4 |
|---|---|
| PubChem CID | 5463911 |
| 分子式 | C14H30O3 |
| 分子量 | 246.22 g/mol |
| IUPAC 名称 | 8,8-diethoxy-2,6-dimethyloctan-2-ol |
| InChIKey | XOJDKWNFMFCXNE-UHFFFAOYSA-N |
| UNII(FDA) | F82P1A3CIM |
| ChEBI 编号 | CHEBI:165845 |
| FEMA 编号 | 2584 |
| JECFA 编号 | 613 |
Hydroxycitronellal diethyl acetal; 8,8-Diethoxy-2,6-dimethyloctan-2-ol; 2-Octanol, 8,8-diethoxy-2,6-dimethyl-; 8,8-Diethoxy-2,6-dimethyl-2-octanol; FEMA No. 2584; 7-Hydroxy-3,7-dimethyloctanal diethyl acetal; 1,1-Diethoxy-3,7-dimethyl-7-octanol; UNII-F82P1A3CIM; F82P1A3CIM; EINECS 231-945-9; Octanal, 7-hydroxy-3,7-dimethyl-, diethyl acetal; DTXSID00864124; 1,1-DIETHOXY-3,7-DIMETHYLOCTAN-7-OL; HYDROXYCITRONELLAL DIETHYL ACETAL [FHFI]; RefChem:147155; DTXCID30812673
| 分子量 | 246.39 |
|---|---|
| XLogP3 | 3.2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 10 |
| 精确质量 | 246.21949481 |
| 单同位素质量 | 246.21949481 |
| 拓扑极性表面积 | 38.7 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
Hydroxycitronellal diethyl acetal is identified by CAS 7779-94-4, molecular formula C14H30O3 and molecular weight 246.22 g/mol. UNII F82P1A3CIM; ChEBI 165845; InChIKey XOJDKWNFMFCXNE-UHFFFAOYSA-N. 沸点: 135.00 °C. @ 3.00 mm Hg; 沸点: 260 °C; 135 °C (3 mm Hg); 密度: 0.902-0.908.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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