4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide supplier

Name
4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
EINECS 224-661-1
CAS No. 4440-90-8
Article Data14
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₄H₈O₃S
Boiling Point 176.3 °C at 760 mmHg
Molecular Weight 136.172
Flash Point 60.4 °C
Transport Information
Appearance
Safety 3/9-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 2,3-Butanediol, cyclic sulfite;sym-Dimethylethylene sulfite;1,3,2-Dioxathiolane, 4,5-dimethyl-, 2-oxide;
PSA 54.74000
LogP 1.25460

4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide Specification

The 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide, with the CAS registry number 4440-90-8, is also known as 1,3,2-Dioxathiolane, 4,5-dimethyl-, 2-oxide. Its EINECS registry number is 224-661-1. This chemical's molecular formula is C₄H₈O₃S and molecular weight is 136.16952. What's more, its IUPAC name and systematic name are the same which is called 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide.

Physical properties about 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.8; (8)ACD/KOC (pH 7.4): 15.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.74 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 30.82 cm³; (15)Molar Volume: 100.5 cm³; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.35 g/cm³; (18)Flash Point: 60.4 °C; (19)Enthalpy of Vaporization: 39.57 kJ/mol; (20)Boiling Point: 176.3 °C at 760 mmHg; (21)Vapour Pressure: 1.48 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S1OC(C)C(O1)C
(2) InChI: InChI=1/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3
(3) InChIKey: SAPINXZHMGNTEC-UHFFFAOYAI

Product Name

4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide

4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide Specification

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