CAS Number5436-21-5
Synonyms1,1-Dimethoxybutan-3-one; MFCD00008789; 4,4-Dimethoxybutan-2-one; 3-Ketobutyraldehyde dimethyl acetal; EINECS 226-605-1; β-Oxobutyraldehyde dimethyl acetal; 1,1-Dimethoxy-3-butanone; 4,4-Dimethoxy-2-butanone; Acetylacetaldehyde dimethylacetal; Acetylacetaldehydedimethylacetal
Molecular FormulaCH3COCH2CH(OCH3)2
Molecular Weight132.16
Purity≥90%
Density1.0±0.1 g/cm3
Boiling Point70-73 °C/20 mmHg (lit.)
Melting Point-82 °C
Appearanceliquid
EINECS226-605-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5436-21-5 |
| Catalog No. | 2A-9007061 |
| Chinese Name | 4,4-二甲氧基-2-丁酮 |
| Synonyms | 1,1-Dimethoxybutan-3-one; MFCD00008789; 4,4-Dimethoxybutan-2-one; 3-Ketobutyraldehyde dimethyl acetal; EINECS 226-605-1; β-Oxobutyraldehyde dimethyl acetal; 1,1-Dimethoxy-3-butanone; 4,4-Dimethoxy-2-butanone; Acetylacetaldehyde dimethylacetal; Acetylacetaldehydedimethylacetal |
| Molecular Formula | CH3COCH2CH(OCH3)2 |
| Molecular Weight | 132.16 |
| Purity | ≥90 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 70-73 °C/20 mmHg (lit.) |
| Melting Point | -82 °C |
| Appearance | liquid |
| Water Solubility | decomposes |
| Storage Condition | Store at room temperature, away from light, in a c |
| Packaging | III |
| Application | 4,4-Dimethoxy-2-butanone is an endogenous metabolite. |
| EINECS | 226-605-1 |
| HTC | 29145000 |
| UN(IATA) | UN 1989 |
| PubChem ID | 24863716 |
| MDL Number | MFCD00008789 |
| SMILES | COC(CC(C)=O)OC |
| InChI | 1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
| InChI Key | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1702372 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 3 |
| Risk Codes | R10 |
| Safety Description | S16 |
| MSDS | msds/7061_1_5436_21_5.pdf |
| Bioactivity | 4,4-Dimethoxy-2-butanone is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 172.1±20.0 °C at 760 mmHg Melting Point -82 °C Molecular Formula C6H12O3 Molecular Weight 132.158 Flash Point 49.4±0.0 °C Exact Mass 132.078644 PSA 35.53000 LogP 0.33 Vapour Pressure 1.4±0.3 mmHg at 25°C Index of Refraction 1.399 InChIKey PJCCSZUMZMCWSX-UHFFFAOYSA-N SMILES COC(CC(C)=O)OC Storage condition Flammables area Water Solubility decomposes |
| Use of | 4,4-Dimethoxy-2-butanone is an endogenous metabolite. Properties Name Acetylacetaldehyde dimethyl acetal Synonym More Synonyms 4,4-Dimethoxy-2-butanone Biological Activity Description 4,4-Dimethoxy-2-butanone is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Molecular Formula C6H12O3 Exact Mass 132.078644 PSA 35.53000 Index of Refraction 1.399 InChIKey PJCCSZUMZMCWSX-UHFFFAOYSA-N SMILES COC(CC(C)=O)OC Storage condition Flammables area Water Solubility decomposes |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations Classification: Class 3 Flammable Liquids. UN number: 1224 Formal shipping name: Ketones, Liquid, Not otherwise specified. Packing grade: III 1,1-Dimethoxy-3-butanone Modification number: 5 |
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