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CAS No.: | 505-10-2 |
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Name: | 3-Methylthiopropanol |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C4H10OS |
Molecular Weight: | 106.189 |
Synonyms: | 3-(Methylsulfanyl)-1-propanol;3-(Methylthio)-1-propanol;3-(Methylthio)propanol;3-Hydroxypropyl methylsulfide;3-Methylmercapto-1-propanol;4-Thiapentan-1-ol;Methionol;NSC 2859;g-Methylmercaptopropyl alcohol; |
EINECS: | 208-004-6 |
Density: | 1.001 g/cm3 |
Melting Point: | -100°C (estimate) |
Boiling Point: | 189.3 °C at 760 mmHg |
Flash Point: | 90.6 °C |
Appearance: | Colorless Liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-24/25-36/37/39 |
PSA: | 45.53000 |
LogP: | 0.73180 |
Conditions | Yield |
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With hydrogen; phosphotungstic acid 44-hydrate; [Fe(C5H4P(i-Pr)2)2Rh(C8H12)]BF4 In water; isopropyl alcohol at 20℃; under 5171.62 Torr; for 16h; | 100% |
With sodium tetrahydroborate at 0 - 20℃; | 99% |
Conditions | Yield |
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In 1,2-dimethoxyethane 1.) 3 h stirring; 2.) 30 min heating; | 80% |
With diethyl ether |
Conditions | Yield |
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With sodium carbonate; PtCl2(dppm) In acetone for 24h; Heating; | 69% |
Conditions | Yield |
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With mercury(II) diacetate; dibenzoyl peroxide im UV-Licht; | |
With mercury salt; oxygen Irradiation.im Licht; |
Conditions | Yield |
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With sodium hydroxide at 100℃; |
methyl 3-(methylthio)propionate
3-(methylthio)-1-propanol
Conditions | Yield |
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With lithium aluminium tetrahydride In tetrahydrofuran |
Conditions | Yield |
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With sodium hydroxide |
Conditions | Yield |
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With sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; dihydrogen peroxide 1.) THF, 25 deg C, overnight, 2.) 1 h; Multistep reaction; |
Conditions | Yield |
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in Gegenwart von Licht; |
Conditions | Yield |
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at 100℃; |
Molecular Structure of 3-Methylthiopropanol (CAS NO.505-10-2):
IUPAC Name: 3-Methylsulfanylpropan-1-ol
Canonical SMILES: CSCCCO
InChI: InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKey: CZUGFKJYCPYHHV-UHFFFAOYSA-N
Molecular Weight: 106.1866 [g/mol]
Molecular Formula: C4H10OS
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 1
EINECS: 208-004-6
Index of Refraction: 1.479
Molar Refractivity: 30.11 cm3
Molar Volume: 106 cm3
Surface Tension: 35.4 dyne/cm
Density: 1.001 g/cm3
Flash Point: 90.6 °C
Enthalpy of Vaporization: 49.53 kJ/mol
Boiling Point: 189.3 °C at 760 mmHg
Vapour Pressure: 0.156 mmHg at 25 °C
Appearance: Colorless Liquid
Product Categories: Aliphatics; API intermediates; Various Intermediates; sulfide Flavor; Intermediates; Sulfur & Selenium Compounds; Aliphatic; Sulfides flavors
3-Methylthiopropanol (CAS NO.505-10-2) is used as a flavor.
Safety Information of 3-Methylthiopropanol (CAS NO.505-10-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-24/25-36/37/39
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
3-Methylthiopropanol (CAS NO.505-10-2), its Synonyms are 1-Propanol, 3-(methylthio)- ; 3-(Methylthio)-1-propanol ; 3-(Methylthio)propanol ; 3-(Methylthio)propyl alcohol ; 3-Hydroxypropyl methyl sulfide ; 3-Methylmercapto-1-propanol ; Methionol ; Methyl 3-hydroxypropylsulfide ; gamma-Hydroxypropyl methyl sulfide ; gamma-Methylmercaptopropyl alcohol .