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| CAS No.: | 23787-80-6 |
|---|---|
| Name: | 2-Acetyl-3-methylpyrazine |
| Molecular Structure: | |
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| Formula: | C7H8N2O |
| Molecular Weight: | 136.153 |
| Synonyms: | Ethanone,1-(3-methylpyrazinyl)- (9CI);Ketone, methyl 3-methylpyrazinyl (8CI);1-(3-Methylpyrazin-2-yl)ethanone; |
| EINECS: | 245-889-8 |
| Density: | 1.11 g/cm3 |
| Melting Point: | 90oC (20 torr) |
| Boiling Point: | 221.8 °C at 760 mmHg |
| Flash Point: | 90.3 °C |
| Appearance: | Clear slightly yellow liquid. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-24/25 |
| PSA: | 42.85000 |
| LogP: | 0.98760 |
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Specification
The Ethanone,1-(3-methyl-2-pyrazinyl)-, with the CAS registry number 23787-80-6, is also known as 2-Acetyl-3-methylpyrazine. It belongs to the product categories of Pyrazine; Mono- & Polyalkylpyrazines; Pyrazines; Pyrazine Flavor; A-B; Alphabetical Listings; Flavors and Fragrances. Its EINECS registry number is 245-889-8. This chemical's molecular formula is C7H8N2O and molecular weight is 136.15122. Its IUPAC name is called 1-(3-methylpyrazin-2-yl)ethanone.
Physical properties of Ethanone,1-(3-methyl-2-pyrazinyl)-: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 1.74; (5)ACD/BCF (pH 7.4): 1.74; (6)ACD/KOC (pH 5.5): 51.84; (7)ACD/KOC (pH 7.4): 51.84; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 37.28 cm3; (12)Molar Volume: 123.6 cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.1 g/cm3; (15)Flash Point: 90.3 °C; (16)Enthalpy of Vaporization: 45.83 kJ/mol; (17)Boiling Point: 221.8 °C at 760 mmHg; (18)Vapour Pressure: 0.105 mmHg at 25°C.
Uses of Ethanone,1-(3-methyl-2-pyrazinyl)-: it can be used to produce methyl 2-[1-(3-methyl-2-pyrazinyl)ethylidene]hydrazinecarbodithioate at temperature of 65 - 70 °C. This reaction will need solvent propan-2-ol with reaction time of 1 hour. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=CN=C1C(=O)C
(2)InChI: InChI=1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
(3)InChIKey: QUNOTZOHYZZWKQ-UHFFFAOYSA-N