4,4-Dimethoxy-2-butanone (CAS 5436-21-5) — formula C6H12O3, molecular weight 132.16; category organic chemicals.
4,4-Dimethoxy-2-butanone is a carbon-based organic compound with CAS registry number 5436-21-5 and molecular formula C6H12O3 (molecular weight 132.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5436-21-5
Its molecular formula C6H12O3 comprises 6 C, 12 H, 3 O atoms.
Also known as: 4,4-Dimethoxy-2-butanone · ACETOACETALDEHYDE DIMETHYL ACETAL
Category: organic chemicals
The CAS registry number of 4,4-Dimethoxy-2-butanone is 5436-21-5.
Molecular formula C6H12O3, molecular weight 132.16.
It is also registered under: 4,4-Dimethoxy-2-butanone, ACETOACETALDEHYDE DIMETHYL ACETAL.
Category: Organic Chemicals.
Public-database records for 4,4-Dimethoxy-2-butanone (CAS 5436-21-5), reproduced here for independent cross-checking.
| GHS notification summary | 5.6% (89 / 1598) |
|---|---|
| Reported hazard statements | H226 (94.4%) |
This chemical does not meet GHS hazard criteria for 5.6% (89 of 1598) of reports.
H226 (94.4%): Flammable liquid and vapor [Warning Flammable liquids]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral 3-KETOBUTYRALDEHYDE DIMETHYL ACETAL |
|---|---|
| GHS notification summary | 5.6% (89 / 1598) |
| 沸点 | 178.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 178 °C |
| 熔点 | -83.00 °C. @ 760.00 mm Hg |
| 密度 | 0.993-0.998 |
| 折射率 | 1.414-1.424 |
| CAS Registry Number | 5436-21-5 |
|---|---|
| PubChem CID | 228548 |
| 分子式 | C6H12O3 |
| IUPAC 名称 | 4,4-dimethoxybutan-2-one |
| UNII（FDA） | 0IZ188B2ZA |
| FEMA 编号 | 3381 |
| JECFA 编号 | 593 |
4,4-dimethoxybutan-2-one; 4,4-Dimethoxy-2-butanone; Acetylacetaldehyde dimethyl acetal; 2-Butanone, 4,4-dimethoxy-; 1,1-Dimethoxy-3-butanone; Acetoacetaldehyde dimethyl acetal; 3-Oxobutyraldehyde dimethyl acetal; 4,4-Dimethoxybutanone; Formylacetone dimethyl acetal; Acetylacetaldehyddimethylacetal; 3-Oxobutanal dimethyl acetal; 3-Ketobutyraldehyde dimethylacetal; Acetoacetaldehyde, 1-(dimethyl acetal); FEMA No. 3381; beta-Oxobutyraldehyde dimethyl acetal; NSC 21538
| 分子量 | 132.16 |
|---|---|
| XLogP3 | -0.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 4 |
| 精确质量 | 132.078644241 |
| 单同位素质量 | 132.078644241 |
| 拓扑极性表面积 | 35.5 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
4,4-Dimethoxy-2-butanone · CAS 5436-21-5 · C6H12O3. UNII 0IZ188B2ZA. 沸点: 178.00 °C. @ 760.00 mm Hg; 沸点: 178 °C; 熔点: -83.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.