CAS Number600-14-6
SynonymsEINECS 209-984-8; MFCD08443597; 2,3-Pentadione; 2.6-Pentanedione; 2,3-PENTANEDITHIOL; 3,4-Pentanedione; ethyl methyl diketone; 2VV1; PENTANDION-2,3; Acethylpropionyl; pentanedione; 2.3-pentanedione; 2,3-pentandione; Acetylpropionyl; 2,3-Pentandion; 2,3-Pentanedione
Molecular FormulaCH3CH2COCOCH3
Molecular Weight100.12
Purity97%
Density1.0±0.1 g/cm3
Boiling Point110-112 °C (lit.)
Melting Point−52 °C (lit.)
AppearanceTransparent to yellow liquid
EINECS209-984-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 600-14-6 |
| Catalog No. | 2A-9001743 |
| Chinese Name | 2,3-戊二酮 |
| Synonyms | EINECS 209-984-8; MFCD08443597; 2,3-Pentadione; 2.6-Pentanedione; 2,3-PENTANEDITHIOL; 3,4-Pentanedione; ethyl methyl diketone; 2VV1; PENTANDION-2,3; Acethylpropionyl; pentanedione; 2.3-pentanedione; 2,3-pentandione; Acetylpropionyl; 2,3-Pentandion; 2,3-Pentanedione |
| Molecular Formula | CH3CH2COCOCH3 |
| Molecular Weight | 100.12 |
| Purity | 97 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 110-112 °C (lit.) |
| Melting Point | −52 °C (lit.) |
| Appearance | Transparent to yellow liquid |
| Water Solubility | 60 g/L (15 ºC) |
| Storage Condition | Storage: Seal the container and store it in a seal |
| Packaging | II |
| Application | 2,3-Pentanedione is a common ingredient in synthetic flavors used to provide butter, strawberry, caramel, fruit, rum or cheese flavors in beverages, ice cream, candies, baked goods, gelatin and puddin |
| EINECS | 209-984-8 |
| HTC | 2914190090 |
| PubChem ID | 24854523 |
| MDL Number | MFCD00009313 |
| SMILES | CCC(=O)C(C)=O |
| InChI | 1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 |
| InChI Key | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1699638 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 3 |
| MSDS | msds/1743_1_600_14_6.pdf |
| Bioactivity | 2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Morgan DL, et al. Bronchial and bronchiolar fibrosis in rats exposed to 2,3-pentanedione vapors: implications for bronchiolitis obliterans in humans. Toxicol Pathol. 2012;40(3):448-465. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 108.0±0.0 °C at 760 mmHg Melting Point -52 °C Molecular Formula C5H8O2 Molecular Weight 100.116 Flash Point 18.9±0.0 °C Exact Mass 100.052429 PSA 34.14000 LogP -0.80 Vapour Pressure 26.4±0.2 mmHg at 25°C Index of Refraction 1.395 InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N SMILES CCC(=O)C(C)=O Storage condition 2-8°C Stability Stable. Highly flammable - store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases. Water Solubility 60 g/L (15 ºC) |
| Use of | 2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[1]. Properties Articles29 Name pentane-2,3-dione Synonym More Synonyms 2,3-Pentanedione Biological Activity Description 2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Morgan DL, et al. Bronchial and bronchiolar fibrosis in rats exposed to 2,3-pentanedione vapors: implications for bronchiolitis obliterans in humans. Toxicol Pathol. 2012;40(3):448-465. Chemical & Physical Properties Molecular Formula C5H8O2 Exact Mass 100.052429 PSA 34.14000 LogP -0.80 Index of Refraction 1.395 InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N SMILES CCC(=O)C(C)=O Stability Stable. Highly flammable - store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases. |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2914190090 other acyclic ketones without other oxygen function. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff:5.5%. General tariff:30.0% |
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