

3-(Methylthio)butanal
Catalog No: FT-0616186
CAS No: 16630-52-7
- Molecular Formula: 118.2
- Formula Weight: C5H10OS
- Inchl Key: NCBDFIPMWRKPDU-UHFFFAOYSA-N
- Inchl: InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Bolling_Point: | 174.0±23.0 °C at 760 mmHg |
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Symbol: | GHS02, GHS05, GHS06, GHS08, GHS09 |
MF: | C5H10OS |
Melting_Point: | N/A |
Flash_Point: | 62.2±0.0 °C |
FW: | 118.197 |
Product_Name: | UNII:1B27G5W046 |
CAS: | 16630-52-7 |
Density: | 1.0±0.1 g/cm3 |
PSA: | 42.37000 |
---|---|
Bolling_Point: | 174.0±23.0 °C at 760 mmHg |
Molecular_Structure: | ['1 . Molar refractive index 3335 ', '2 . Molar volume 1227 ', '3 . Parachor (902K)2879 ', '4 . Surface tension 303 ', '5 . Polarizability 1322'] |
LogP: | 1.05 |
More_Info: | ['1. Appearance Colourless to 淡Yellow Liquid 。 ', '2. Density(g/mL,25/4℃)1001g/mLat 25°C(lit)3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)Unknow ', '5. Boiling point(ºC,Atmospheric pressure)62-64°C10mm Hg(lit)6. Boiling point(ºC,52kPa)Unknow ', '7. Refractive indexn 20/D 1476(lit)8. Flash point(ºC)144°F9. Specific rotation(º)Unknow ', '10. Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11. Vapor pressure(kPa,25ºC)Unknow ', '12. Saturated vapor pressure(kPa,60ºC)Unknow ', '13. Combustion heat(KJ/mol)Unknow ', '14. Critical temperature(ºC)Unknow ', '15. Critical pressure(KPa)Unknow ', '16. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17. Upper limit of explosion(%,V/V)Unknow ', '18. Lower limit of explosion(%,V/V)Unknow ', '19. Solubility Unknow'] |
MF: | C5H10OS |
Computational_Chemistry: | ['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 424 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :54 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
Refractive_Index: | 1.456 |
Flash_Point: | 62.2±0.0 °C |
FW: | 118.197 |
Exact_Mass: | 118.045235 |
Vapor_Density: | 4.1 (vs air) |
Vapor_Pressure: | 1.2±0.3 mmHg at 25°C |
Density: | 1.0±0.1 g/cm3 |
Safety_Statements: | S26-S36 |
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Warning_Statement: | P210-P261-P280-P304 + P340 + P312-P305 + P351 + P338 + P310-P370 + P378 |
Hazard_Codes: | Xi: Irritant; |
Symbol: | GHS02, GHS05, GHS06, GHS08, GHS09 |
WGK_Germany: | 3 |
HS_Code: | 2930909090 |
Personal_Protective_Equipment: | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
Risk_Statements(EU): | R36/37/38 |
RIDADR: | 1989 |
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