Hydratropic aldehyde dimethyl acetal (CAS 90-87-9) — formula C11H16O2, molecular weight 180.12 g/mol.
Hydratropic aldehyde dimethyl acetal is a chemical compound with CAS registry number 90-87-9 and molecular formula C11H16O2 (molecular weight 180.12 g/mol).
CAS number: 90-87-9
Its molecular formula C11H16O2 comprises 11 C, 16 H, 2 O atoms.
Also known as: Hydratropic aldehyde dimethyl acetal · 2-phenylpropionaldehyde dimethyl acetal
The CAS registry number of Hydratropic aldehyde dimethyl acetal is 90-87-9.
Molecular formula C11H16O2, molecular weight 180.12 g/mol.
It is also registered under: Hydratropic aldehyde dimethyl acetal, 2-phenylpropionaldehyde dimethyl acetal.
Public-database records for Hydratropic aldehyde dimethyl acetal (CAS 90-87-9), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%) |
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H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 111.00 to 112.00 °C. @ 12.00 mm Hg |
|---|---|
| 沸点 | 240-241 °C |
| 密度 | 0.989-0.994 |
| LogP | 2.579 |
| 折射率 | 1.492-1.497 |
| CAS Registry Number | 90-87-9 |
|---|---|
| PubChem CID | 62336 |
| 分子式 | C11H16O2 |
| 分子量 | 180.12 g/mol |
| IUPAC 名称 | 1,1-dimethoxypropan-2-ylbenzene |
| InChIKey | UFOUDYPOSJJEDJ-UHFFFAOYSA-N |
| UNII（FDA） | H41WGL6C12 |
| ChEBI 编号 | CHEBI:169513 |
| FEMA 编号 | 2888 |
| JECFA 编号 | 1468 |
2-Phenylpropionaldehyde dimethyl acetal; 90-87-9; 1,1-Dimethoxy-2-phenylpropane; Hydratropic aldehyde dimethyl acetal; (1,1-Dimethoxypropan-2-yl)benzene; Hydratropaldehyde dimethyl acetal; Hydrotropic aldehyde dimethyl acetal; 2-Phenylpropanal dimethyl acetal; 2-Phenylpropanal dimethylacetal; Hydrotropaldehyde dimethyl acetal; FEMA No. 2888; BENZENE, (2,2-DIMETHOXY-1-METHYLETHYL)-; (2,2-Dimethoxy-1-methylethyl)benzene; Hydratropaldehyde, dimethyl acetal; DTXSID6047109; EINECS 202-022-8
| 分子量 | 180.24 |
|---|---|
| XLogP3 | 2.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 180.115029749 |
| 单同位素质量 | 180.115029749 |
| 拓扑极性表面积 | 18.5 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
Hydratropic aldehyde dimethyl acetal is identified by CAS 90-87-9, molecular formula C11H16O2 and molecular weight 180.12 g/mol. UNII H41WGL6C12; ChEBI 169513; InChIKey UFOUDYPOSJJEDJ-UHFFFAOYSA-N. 沸点: 111.00 to 112.00 °C. @ 12.00 mm Hg; 沸点: 240-241 °C; 密度: 0.989-0.994.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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