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CAS No.: | 40015-15-4 |
---|---|
Name: | 1,1-Dimethoxy-2-(methylthio)ethane |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H12O2S |
Molecular Weight: | 136.215 |
Synonyms: | 1,1-Dimethoxy-2-methylsulfanylethane;2,2-Dimethoxyethyl methyl sulfide;2-(Methylthio)acetaldehyde dimethyl acetal;Methylthioacetaldehyde dimethylacetal; |
EINECS: | -0 |
Density: | 0.986 g/cm3 |
Boiling Point: | 169.8 °C at 760 mmHg |
Flash Point: | 56.5 °C |
Hazard Symbols: | F,Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 16-26-36/37/39 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 43.76000 |
LogP: | 0.96830 |
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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