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2-Vinyl-1,3-dioxolane

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Name

2-Vinyl-1,3-dioxolane

EINECS 223-626-8
CAS No. 3984-22-3 Density 1.092 g/cm3
PSA 18.46000 LogP 0.54530
Solubility N/A Melting Point 117°C
Formula C5H8O2 Boiling Point 93.3 °C at 760 mmHg
Molecular Weight 100.117 Flash Point 21°C
Transport Information UN 1992 Appearance Transparent colorless liquid
Safety 16-26-36/37/39-45 Risk Codes 11-25-27-36/37/38
Molecular Structure Molecular Structure of 3984-22-3 (2-Vinyl-1,3-dioxolane) Hazard Symbols FlammableF,VeryT+
Synonyms

1,3-Dioxolane,2-vinyl- (6CI,7CI,8CI);2-Vinyl-1,3-dioxolane;Acrolein ethylene acetal;Acrolein ethylene ketal;

Article Data 18

2-Vinyl-1,3-dioxolane 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%.

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

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