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| CAS No.: | 31001-77-1 |
|---|---|
| Name: | 3-Mercaptopropylmethyldimethoxysilane |
| Molecular Structure: | |
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| Formula: | C6H16O2SSi |
| Molecular Weight: | 180.343 |
| Synonyms: | (3-Mercaptopropyl)dimethoxymethylsilane;(g-Mercaptopropyl)dimethoxymethylsilane;3-(Dimethoxymethylsilyl)-1-propanethiol;AY 43-062;Dimethoxy(3-mercaptopropyl)methylsilane;Dimethoxymercaptopropylmethylsilane;Dimethoxymethyl(3-mercaptopropyl)silane;KBE 802;KBM 802;KEM 802;Methyl(3-mercaptopropyl)dimethoxysilane;SiSiB PC2320; |
| EINECS: | 250-426-8 |
| Density: | 0.948 g/cm3 |
| Boiling Point: | 181.1 °C at 760 mmHg |
| Flash Point: | 63.4 °C |
| Solubility: | Insoluble in water. |
| Appearance: | clear to straw liquid with unpleasant odor of sulfide |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 2924 |
| PSA: | 57.26000 |
| LogP: | 1.67110 |
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Specification
The 1-Propanethiol,3-(dimethoxymethylsilyl)-, with the CAS registry number 31001-77-1, is also known as 3-(Dimethoxymethylsilyl)-1-propanethiol. It belongs to the product categories of Industrial/Fine Chemicals; Dialkoxysilanes; Si (Classes of Silicon Compounds); Si-O Compounds; Adhesion Promoters; Coupling Agents; Mecapto Silanes; Surface Modifiers. Its EINECS registry number is 250-426-8. Its systematic name is called 3-[dimethoxy(methyl)silyl]propane-1-thiol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It can be used as silane coupling agent, adhesive, rubber rollers, silicone oil and so on. What's more, this chemical is clear to straw liquid with unpleasant odor of sulfide.
Physical properties of 1-Propanethiol,3-(dimethoxymethylsilyl)-: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.54; (8)ACD/KOC (pH 7.4): 44.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 49.95 cm3; (14)Molar Volume: 190 cm3; (15)Surface Tension: 24.1 dyne/cm; (16)Density: 0.948 g/cm3; (17)Flash Point: 63.4 °C; (18)Enthalpy of Vaporization: 40.03 kJ/mol; (19)Boiling Point: 181.1 °C at 760 mmHg; (20)Vapour Pressure: 1.17 mmHg at 25°C.
Uses of 1-Propanethiol,3-(dimethoxymethylsilyl)-: it can be used to produce C12H30O4S2Si2 at temperature of 80 °C. This reaction will need reagent AIBN and solvent acetonitrile with reaction time of 4 hours. The yield is about 20%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)[Si](OC)(CCCS)C
(2)InChI: InChI=1/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3
(3)InChIKey: IKYAJDOSWUATPI-UHFFFAOYAX