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| CAS No.: | 2408-20-0 |
|---|---|
| Name: | ALLYL PROPIONATE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | Propanoicacid, 2-propenyl ester (9CI);Propionic acid, allyl ester (6CI,7CI,8CI);2-Propenyl propanoate;Allyl propanoate;Allyl propionate;NSC 7620; |
| EINECS: | 219-307-8 |
| Density: | 0.904 g/cm3 |
| Melting Point: | 37.22°C (estimate) |
| Boiling Point: | 122.4 °C at 760 mmHg |
| Flash Point: | 33.5 °C |
| Solubility: | 3.649g/L at 25℃ |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 3272 3/PG 3 |
| PSA: | 26.30000 |
| LogP: | 1.12560 |
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Specification
The CAS registry number of Propanoic acid,2-propen-1-yl ester is 2408-20-0. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances. This chemical is also named as Propanoic acid, 2-propenyl ester. Its EINECS registry number is 219-307-8. In addition, its molecular formula is C6H10O2 and molecular weight is 114.14. Its IUPAC name is called prop-2-enyl propanoate.
Physical properties about Propanoic acid,2-propen-1-yl ester are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.5; (6)ACD/BCF (pH 7.4): 8.5; (7)ACD/KOC (pH 5.5): 160.98; (8)ACD/KOC (pH 7.4): 160.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.411; (13)Molar Refractivity: 31.34 cm3; (14)Molar Volume: 126.1 cm3; (15)Surface Tension: 25.9 dyne/cm; (16)Density: 0.904 g/cm3; (17)Flash Point: 33.5 °C; (18)Enthalpy of Vaporization: 36.05 kJ/mol; (19)Boiling Point: 122.4 °C at 760 mmHg; (20)Vapour Pressure: 13.9 mmHg at 25°C.
Preparation: this chemical can be prepared by propionyl chloride and prop-2-en-1-ol. This reaction will need reagent 30percent aqueous sodium (or potassium) hydroxide and catalyst tetrabutylammonium chloride. The reaction time is 7.5 mins with reaction temperature of 0 °C. The yield is about 69 %.
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Uses of Propanoic acid,2-propen-1-yl ester: it can be used to produce 2-methyl-3-oxo-succinic acid diallyl ester at ambient temperature. It will need reagent sodium allyloxide and solvent tetrahydrofuran.
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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 flammable. What's more, 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. Finally, you must keep it away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)CC
(2)InChI: InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
(3)InChIKey: XRFWKHVQMACVTA-UHFFFAOYAU