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Name |
2-Mercapto-3-butanol |
EINECS | 253-701-0 |
CAS No. | 37887-04-0 | Density | 0.993 g/cm3 |
PSA | 59.03000 | LogP | 0.68550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H10OS | Boiling Point | 162.3 ºC at 760 mmHg |
Molecular Weight | 106.189 | Flash Point | 61.7 ºC |
Transport Information | UN 3336 | Appearance | Colorless transparent liquid |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Butanol,3-mercapto-, (R*,S*)-;3-Mercapto-2-butanol; |
Article Data | 3 |
The molecular structure of (R*,S*)-3-mercaptobutan-2-ol (CAS NO.37887-04-0) is
IUPAC Name: (2S,3R)-3-Sulfanylbutan-2-ol
Molecular Formula: C4H10OS
Canonical SMILES: CC(C(C)S)O
InChI: InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m0/s1
Molecular Weight: 106.18
EINECS: 253-701-0
Density: 0.993 g/cm3
Boiling Point: 162.3 °C at 760 mmHg
Flash Point: 61.7 °C
Appearance: colorless transparent liquid
Freely Rotating Bonds: 3
Polar Surface Area: 34.53 Å2
Index of Refraction: 1.472
Molar Refractivity: 29.92 cm3
Molar Volume: 106.8 cm3
Polarizability: 11.86 ×10-24 cm3
Surface Tension: 32.2 dyne/cm
Enthalpy of Vaporization: 46.45 kJ/mol
Vapour Pressure: 0.75 mmHg at 25 °C
Product Categories: Pharmaceutical Raw Materials; thiol Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Sulfides flavors
(R*,S*)-3-mercaptobutan-2-ol (CAS NO.37887-04-0) is used as flavor.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
RIDADR: UN 3336 3/PG 3
WGK Germany: 3
The chemical synonyms of (R*,S*)-3-mercaptobutan-2-ol (CAS NO.37887-04-0) are FEMA 3502 ; 2-Mercapto-3-butanol;3-Mercaptobutan-2-ol ; (R*,S*)-3-mercaptobutan-2-ol ; 2-Mercapto-3-butanol 97+% ; 2-Mercapto-3-butanol fema NO.3502 ; 2-Butanol, 3-mercapto-, (2R,3S)-rel- ; 3-Thio-2-butanol .