CAS 600-14-6|2,3-Pentanedione
Introduction：Basic information about CAS 600-14-6|2,3-Pentanedione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,3-Pentanedione | ||
|---|---|---|---|
| CAS Number | 600-14-6 | Molecular Weight | 100.116 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 108.0±0.0 °C at 760 mmHg |
| Molecular Formula | C5H8O2 | Melting Point | -52 °C |
| MSDS | ChineseUSA | Flash Point | 18.9±0.0 °C |
| Symbol | GHS02, GHS07 | Signal Word | Danger |
Names
| Name | pentane-2,3-dione |
|---|---|
| Synonym | More Synonyms |
2,3-Pentanedione BiologicalActivity
| 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 >>OthersSignaling 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) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,699,1979 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,699,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,699,1979
Safety Information
| Symbol | GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H315-H319-H335 |
| Precautionary Statements | P210-P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | F:Flammable |
| Risk Phrases | R11;R36/37/38 |
| Safety Phrases | S16-S26-S36-S37/39 |
| RIDADR | UN 1224 3/PG 2 |
| WGK Germany | 1 |
| RTECS | SA1850000 |
| Packaging Group | II |
| Hazard Class | 3 |
| HS Code | 2914190090 |
Customs
| HS Code | 2914190090 |
|---|---|
| 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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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 |
