Propanoic acid,3-mercapto-, 2-ethylhexyl ester supplier

Name
3-MERCAPTOPROPIONIC ACID 2-ETHYLHEXYL ESTER
EINECS 256-589-1
CAS No. 50448-95-8
Density 0,96 g/cm³
Solubility 65mg/L at 20℃
Melting Point
Formula C₁₁H₂₂O₂S
Boiling Point 285.9 °C at 760 mmHg
Molecular Weight 218.36
Flash Point 148.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Ethylhexyl3-mercaptopropanoate;2-Ethylhexyl 3-mercaptopropionate;2-Ethylhexyl b-mercaptopropionate;3-Mercaptopropionicacid 2-ethylhexyl ester;b-Mercaptopropionic acid 2-ethylhexyl ester;
PSA 65.10000
LogP 3.06590

Propanoic acid,3-mercapto-, 2-ethylhexyl ester Specification

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

Product Name

3-MERCAPTOPROPIONIC ACID 2-ETHYLHEXYL ESTER

Propanoic acid,3-mercapto-, 2-ethylhexyl ester Specification

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