| Identification | |
| Name: | Butanoic acid,2-mercapto- |
| Synonyms: | Butyricacid, 2-mercapto- (7CI,8CI);2-Mercaptobutyric acid;a-Mercaptobutyric acid;butanoic acid, 2-mercapto-;Ethyl mercaptoacetic acid; |
| CAS: | 26473-48-3 |
| Molecular Formula: | C4H8O2S |
| Molecular Weight: | 120.17 |
| InChI: | InChI=1/C4H8O2S/c1-2-3(7)4(5)6/h3,7H,2H2,1H3,(H,5,6) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 89 ºC |
| Boiling Point: | 224 ºC |
| Density: | 1.159 |
| Refractive index: | 1.491 |
| Specification: |
The 2-Mercaptobutyric acid, with the CAS registry number 26473-48-3, has the systematic name of Ethyl mercaptoacetic acid. And the molecular formula of the chemical is C4H8O2S. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.1 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 30 cm3; (15)Molar Volume: 103.613 cm3; (16)Polarizability: 11.893×10-24cm3; (17)Surface Tension: 41.09 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 89.506 °C; (20)Enthalpy of Vaporization: 50.776 kJ/mol; (21)Boiling Point: 224.387 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Flash Point: | 89 ºC |
| Safety Data | |
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