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1,1-Dimethoxy-2-(methylthio)ethane

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Name

1,1-Dimethoxy-2-(methylthio)ethane

EINECS -0
CAS No. 40015-15-4 Density 0.986 g/cm3
PSA 43.76000 LogP 0.96830
Solubility N/A Melting Point N/A
Formula C5H12O2S Boiling Point 169.8 °C at 760 mmHg
Molecular Weight 136.215 Flash Point 56.5 °C
Transport Information UN 1993 3/PG 2 Appearance N/A
Safety 16-26-36/37/39 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 40015-15-4 (1,1-Dimethoxy-2-(methylthio)ethane) Hazard Symbols FlammableF,IrritantXi
Synonyms

1,1-Dimethoxy-2-methylsulfanylethane;2,2-Dimethoxyethyl methyl sulfide;2-(Methylthio)acetaldehyde dimethyl acetal;Methylthioacetaldehyde dimethylacetal;

Article Data 4

1,1-Dimethoxy-2-(methylthio)ethane Specification

The Ethane,1,1-dimethoxy-2-(methylthio)-, with CAS registry number 40015-15-4, has the systematic name of 1,1-dimethoxy-2-(methylsulfanyl)ethane. And its IUPAC name is the same one. This chemical should be stored in cool, dry place. And the chemical formula of this chemical is C5H12O2S.

Physical properties of Ethane,1,1-dimethoxy-2-(methylthio)-: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 4.37; (7)ACD/KOC (pH 5.5): 100.05; (8)ACD/KOC (pH 7.4): 100.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.76 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 36.65 cm3; (15)Molar Volume: 138.1 cm3; (16)Polarizability: 14.53×10-24cm3; (17)Surface Tension: 28.2 dyne/cm; (18)Enthalpy of Vaporization: 38.95 kJ/mol; (19)Vapour Pressure: 2.01 mmHg at 25°C.

Uses of Ethane,1,1-dimethoxy-2-(methylthio)-: it can be used to produce methylsulfanyl-acetaldehyde. This reaction will need reagent aq. HCl.

When you are using this chemical, please be cautious about it as the following:
The Ethane,1,1-dimethoxy-2-(methylthio)- is highly flammable, so keep it away from sources of ignition. This chemical also irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)CSC
(2)InChI: InChI=1/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H3
(3)InChIKey: DVOAQLUDKIFSNB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H3
(5)Std. InChIKey: DVOAQLUDKIFSNB-UHFFFAOYSA-N

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