Vanillin propylene glycol acetal (CAS 68527-74-2) — formula C11H14O4, molecular weight 210.09 g/mol.
Vanillin propylene glycol acetal is a chemical compound with CAS registry number 68527-74-2 and molecular formula C11H14O4 (molecular weight 210.09 g/mol).
CAS number: 68527-74-2
Its molecular formula C11H14O4 comprises 11 C, 14 H, 4 O atoms.
Also known as: Vanillin propylene glycol acetal · vanillin propyleneglycol acetal
The CAS registry number of Vanillin propylene glycol acetal is 68527-74-2.
Molecular formula C11H14O4, molecular weight 210.09 g/mol.
It is also registered under: Vanillin propylene glycol acetal, vanillin propyleneglycol acetal.
Public-database records for Vanillin propylene glycol acetal (CAS 68527-74-2), reproduced here for independent cross-checking.
| GHS notification summary | 98.9% (91 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). 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 No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 98.9% (91 / 92) |
| 沸点 | 154.00 °C. @ 1.00 mm Hg |
|---|---|
| 沸点 | 152-155 °C (1 mm Hg) |
| 密度 | 1.196-1.206 |
| 折射率 | 1.533-1.543 |
| CAS Registry Number | 68527-74-2 |
|---|---|
| PubChem CID | 109455 |
| 分子式 | C11H14O4 |
| 分子量 | 210.09 g/mol |
| IUPAC 名称 | 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol |
| InChIKey | RFGCVZIIIHRESZ-UHFFFAOYSA-N |
| UNII（FDA） | J6C2S16A8K |
| ChEBI 编号 | CHEBI:174054 |
| FEMA 编号 | 3905 |
| JECFA 编号 | 1882 |
2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol; Vanillin propylene glycol acetal; Vanillin propyleneglycol acetal; Phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-; UNII-J6C2S16A8K; J6C2S16A8K; EINECS 271-279-6; FEMA NO. 3905; DTXSID10867661; VANILLIN 1,2-PROPYLENE GLYCOL ACETAL; RefChem:193699; DTXCID40815832; RFGCVZIIIHRESZ-UHFFFAOYSA-N; 68527-74-2; MFCD00036666; SCHEMBL118412
| 分子量 | 210.23 |
|---|---|
| XLogP3 | 1.4 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 210.08920892 |
| 单同位素质量 | 210.08920892 |
| 拓扑极性表面积 | 47.9 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
Vanillin propylene glycol acetal is identified by CAS 68527-74-2, molecular formula C11H14O4 and molecular weight 210.09 g/mol. UNII J6C2S16A8K; ChEBI 174054; InChIKey RFGCVZIIIHRESZ-UHFFFAOYSA-N. 沸点: 154.00 °C. @ 1.00 mm Hg; 沸点: 152-155 °C (1 mm Hg); 密度: 1.196-1.206.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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