CAS No.4437-85-8,4-ETHYL-1,3-DIOXOLAN-2-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4437-85-8
Name:	4-ETHYL-1,3-DIOXOLAN-2-ONE
Article Data:	4

Formula:	C₅H₈O₃
Molecular Weight:	116.117
Synonyms:	1,2-Butylene carbonate;2-Oxo-4-ethyl-1,3-dioxolane;Butylene carbonate;Jeffsol BC;Carbonicacid, cyclic ethylethylene ester (7CI,8CI);Carbonic acid, ethylethylene ester(6CI);1,2-Butanediol, cyclic carbonate (8CI);
EINECS:	403-780-4
Density:	1.107 g/cm³
Melting Point:	-45 °C
Boiling Point:	238.7 °C at 760 mmHg
Flash Point:	128.4 °C
Appearance:	clear colorless liquid
Safety:	24/25
Transport Information:	UN 1993
PSA:	35.53000
LogP:	0.93180

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Specification

The IUPAC name of this chemical is 4-Ethyl-1,3-dioxolan-2-one. With the CAS registry number 4437-85-8, it is also named as 1,2-butylene carbonate. In addition, the molecular formula is C₅H₈O₃ and the molecular weight is 116.12. It is a kind of clear colorless liquid and should be stored in a cool and dry place. And it can be used as a chemical reagent and organic intermediate.

Physical properties about this chemical are: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.91; (7)ACD/KOC (pH 7.4): 27.91; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 26.5 cm³; (13)Molar Volume: 104.8 cm³; (14)Polarizability: 10.5 ×10^-24cm³; (15)Surface Tension: 29.5 dyne/cm; (16)Density: 1.107 g/cm³; (17)Flash Point: 128.4 °C; (18)Enthalpy of Vaporization: 47.56 kJ/mol; (19)Boiling Point: 238.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0417 mmHg at 25°C.

Preparation of 4-Ethyl-1,3-dioxolan-2-one: it can be prepared by ethyloxirane and carbon dioxide. This reaction will need reagent MgO and solvent dimethylformamide. The reaction time is 12 hours at reaction temperature of 135 °C. And the reaction pressure is 14710.2 Pa. In addition, The yield is about 72%.

4-Ethyl-1,3-dioxolan-2-one can be prepared by ethyloxirane and carbon dioxide

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCC(O1)CC
(2)InChI: InChI=1/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3
(3)InChIKey: ZZXUZKXVROWEIF-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 11, 1990.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 11, 1990.