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Name |
Propanoic acid,3-mercapto-, 2-ethylhexyl ester |
EINECS | 256-589-1 |
CAS No. | 50448-95-8 | Density | 0,96 g/cm3 |
PSA | 65.10000 | LogP | 3.06590 |
Solubility | 65mg/L at 20℃ | Melting Point |
N/A |
Formula | C11H22O2S | Boiling Point | 285.9 °C at 760 mmHg |
Molecular Weight | 218.36 | Flash Point | 148.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Ethylhexyl3-mercaptopropanoate;2-Ethylhexyl 3-mercaptopropionate;2-Ethylhexyl b-mercaptopropionate;3-Mercaptopropionicacid 2-ethylhexyl ester;b-Mercaptopropionic acid 2-ethylhexyl ester; |
The CAS registry number of Propanoic acid,3-mercapto-, 2-ethylhexyl ester is 50448-95-8. This chemical is also named as 2-Ethylhexyl 3-mercaptopropanoate. Its EINECS registry number is 256-589-1. In addition, its molecular formula is C11H22O2S and molecular weight is 218.36. Its systematic name and IUPAC name are the same which is called 2-ethylhexyl 3-sulfanylpropanoate.
Physical properties about Propanoic acid,3-mercapto-, 2-ethylhexyl ester are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1311.82; (6)ACD/BCF (pH 7.4): 1304.2; (7)ACD/KOC (pH 5.5): 5934.21; (8)ACD/KOC (pH 7.4): 5899.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 62.64 cm3; (14)Molar Volume: 228 cm3; (15)Surface Tension: 32.3 dyne/cm; (16)Density: 0.957 g/cm3; (17)Flash Point: 148.4 °C; (18)Enthalpy of Vaporization: 52.5 kJ/mol; (19)Boiling Point: 285.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00272 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical 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(OCC(CCCC)CC)CCS
(2)InChI: InChI=1/C11H22O2S/c1-3-5-6-10(4-2)9-13-11(12)7-8-14/h10,14H,3-9H2,1-2H3
(3)InChIKey: SUODCTNNAKSRHB-UHFFFAOYAO