beta-Acetylpyridine
3-acetylpyridine
CAS: 350-03-8
Molecular Formula: C7H7NO
beta-Acetylpyridine - Names and Identifiers
| Name | 3-acetylpyridine |
| Synonyms | 3-acetyl-pyridin 3-Acetylpiridine 3-acetylpyridine beta-Acetylpyridine ketone,methyl3-pyridyl 1-pyridin-3-ylethanone 1-(3-pyridinyl)-ethanon 1-(3-pyridenyl)ethanone Methyl 3-pyridyl ketone Ketone, methyl 3-pyridyl Ethanone,1-(3-pyridinyl) Methyl beta-pyridyl ketone Methyl (3-pyridyl) methanone |
| CAS | 350-03-8 |
| EINECS | 206-496-7 |
| InChI | InChI=1/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3 |
| InChIKey | WEGYGNROSJDEIW-UHFFFAOYSA-N |
beta-Acetylpyridine - Physico-chemical Properties
| Molecular Formula | C7H7NO |
| Molar Mass | 121.14 |
| Density | 1.102 g/mL at 25 °C (lit.) |
| Melting Point | 11-13 °C (lit.) |
| Boling Point | 220 °C (lit.) |
| Flash Point | 302°F |
| JECFA Number | 1316 |
| Water Solubility | SOLUBLE IN HOT WATER |
| Vapor Presure | 0.3Pa at 20℃ |
| Appearance | Transparent liquid |
| Specific Gravity | 1.102 |
| Color | Clear colorless to yellow |
| Merck | 14,6116 |
| BRN | 107751 |
| pKa | pK1: 3.256(+1) (25°C) |
| PH | 6.5-7.5 (H2O, 20℃) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.534(lit.) |
| MDL | MFCD00006396 |
| Physical and Chemical Properties | colorless to yellow liquid |
| Use | Used as an intermediate of risedronate sodium for the treatment of osteoporosis; Pesticide intermediate |
beta-Acetylpyridine - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R36/38 - Irritating to eyes and skin. R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection S28A - S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | OB5425000 |
| FLUKA BRAND F CODES | 8-10 |
| TSCA | Yes |
| HS Code | 29333999 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orl-rat: 46 mg/kg JACTDZ 1,681,92 |
beta-Acetylpyridine - Reference
| Reference Show more | 1. Yunqiong Liu. Synthesis of 1 5-diphenyl-3-(β-pyridyl) pyrazoline [J]. Journal of Neijiang Normal University, 2016, 31(012):52-55. 2. Qiu Demin, du, Junlei, Guangdong et al. Synthesis of 1-phenyl -3-(β-pyridyl)-5-(α-furyl) pyrazoline [J]. Journal of Neijiang Normal University 2018 02(v.33;No.221):65-68. 3. [IF = 4.759] Yuhao Han et al."Multi-wavelength visible-light induced [2 2] cycloaddition for identification of lipid isomers in biological samples." J Chromatogr A. 2022 Jan;1662:462742 |
beta-Acetylpyridine - Reference Information
| FEMA | 3424 | 3-ACETYLPYRIDINE |
| LogP | 0.34 at 13℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by polar column method in GT-10-4 gas chromatography. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 2.0; Cold drink 2.0; Candy 3.0; Baked food 3.0; Pudding 2.0; Meat and soup 0.05. |
| use | spices. Mainly used to prepare popcorn, peanuts, meat and tobacco flavors. risedronate sodium intermediate. Used as an intermediate of risedronate sodium for the treatment of osteoporosis |
| production method | is obtained by dry distillation of calcium niacin and calcium acetate. |
| category | flammable liquid |
| toxicity classification | highly toxic |
| acute toxicity | oral administration-rat LD50: 46 μ l/kg; Abdominal cavity-mouse LD50: 182 mg/kg |
| flammability hazard characteristics | flammability; heating decomposition releases toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 21:00:56
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