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| CAS No.: | 3984-22-3 |
|---|---|
| Name: | 2-Vinyl-1,3-dioxolane |
| Molecular Structure: | |
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|
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| Formula: | C5H8O2 |
| Molecular Weight: | 100.117 |
| Synonyms: | 1,3-Dioxolane,2-vinyl- (6CI,7CI,8CI);2-Vinyl-1,3-dioxolane;Acrolein ethylene acetal;Acrolein ethylene ketal; |
| EINECS: | 223-626-8 |
| Density: | 1.092 g/cm3 |
| Melting Point: | 117°C |
| Boiling Point: | 93.3 °C at 760 mmHg |
| Flash Point: | 21°C |
| Appearance: | Transparent colorless liquid |
| Hazard Symbols: |
 F, T+
|
| Risk Codes: | 11-25-27-36/37/38 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 1992 |
| PSA: | 18.46000 |
| LogP: | 0.54530 |
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Specification
The 2-Vinyl-1,3-dioxolane with the CAS number 3984-22-3 is also called 1,3-Dioxolane,2-ethenyl-. Both the systematic name and IUPAC name are 2-ethenyl-1,3-dioxolane. Its molecular formula is C5H8O2. The EINECS registry number is 223-626-8. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-Vinyl-1,3-dioxolane are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.88; (8)ACD/KOC (pH 7.4): 26.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 27.82 cm3; (15)Molar Volume: 91.6 cm3; (16)Polarizability: 11.03×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Enthalpy of Vaporization: 31.93 kJ/mol; (19)Vapour Pressure: 56.5 mmHg at 25°C.
Uses: This chemical can react with butyllithium to prepare 2-hept-1-enyloxy-ethanol. The yield is 43%.
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While using this chemical, you should be very cautious. This chemical is highly flammable and toxic if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. What's more, it is very toxic in contact with skin. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Secondly in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Thirdly in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible). Finally you should keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(OCC1)\C=C
(2)InChI: InChI=1/C5H8O2/c1-2-5-6-3-4-7-5/h2,5H,1,3-4H2
(3)InChIKey: KKBHSBATGOQADJ-UHFFFAOYAH
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. OTS0556221, | |
| rat | LD50 | oral | 84700ug/kg (84.7mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0556221 |