2,3-Pentanedione
- Product Name2,3-Pentanedione
- CAS600-14-6
- CBNumberCB6166470
- MFC5H8O2
- MW100.12
- EINECS209-984-8
- MDL NumberMFCD00009313
- MOL File600-14-6.mol
Chemical Properties
| Melting point: | -52 °C |
| Boiling point: | 108 °C |
| Density | 0.96 |
| vapor pressure | 28.5 hPa (20 °C) |
| FEMA | 2841 | 2,3-PENTANEDIONE |
| refractive index | 1.40 |
| Flash point: | 19 °C |
| storage temp. | 2-8°C |
| solubility | 60g/l |
| form | clear liquid |
| color | Light yellow to Yellow to Orange |
| Odor | at 1.00 % in dipropylene glycol. pungent sweet butter creamy caramel nutty cheese |
| PH | 4 (H2O) |
| explosive limit | 1.8-10.9%(V) |
| biological source | synthetic |
| Odor Type | buttery |
| Water Solubility | 60 g/L (15 ºC) |
| JECFA Number | 410 |
| BRN | 1699638 |
| Henry's Law Constant | 1.3×10-1 mol/(m3Pa) at 25℃, Wu et al. (2022) |
| Exposure limits | NIOSH: TWA 9.3 ppb; STEL 31 ppb |
| Stability: | Stable. Highly flammable - store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases. |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 |
| InChIKey | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| SMILES | CCC(=O)C(C)=O |
| LogP | -0.85 |
| CAS DataBase Reference | 600-14-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,3-Pentanedione(600-14-6) |
| EPA Substance Registry System | 2,3-Pentanedione (600-14-6) |
Safety
| Symbol(GHS) |
   GHS02,GHS07,GHS08 |
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| Signal word | Danger | |||||||||
| Hazard statements | H225-H317-H373 | |||||||||
| Precautionary statements | P210-P233-P240-P280-P303+P361+P353-P314 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xi | |||||||||
| Risk Statements | 11-36/37/38 | |||||||||
| Safety Statements | 16-26-36-37/39 | |||||||||
| RIDADR | UN 1224 3/PG 2 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | SA1850000 | |||||||||
| F | 9-23 | |||||||||
| Autoignition Temperature | 265 °C | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2914190090 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Flam. Liq. 2 Skin Sens. 1B STOT RE 2 |
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| Hazardous Substances Data | 600-14-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2500 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
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