CAS No.16156-53-9,2-METHYLPROPYLMETHANESULPHONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16156-53-9
Name:	2-METHYLPROPYLMETHANESULPHONATE
Article Data:	11

Formula:	C₅H₁₂O₃S
Molecular Weight:	152.214
Synonyms:	Methanesulfonicacid, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl methanesulfonate;Isobutylmethanesulfonate;
Density:	1.096 g/cm³
Boiling Point:	236.8 °C at 760 mmHg
Flash Point:	97 °C
PSA:	51.75000
LogP:	1.69940

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Specification

The Methanesulfonic acid, 2-methylpropyl ester is an organic compound with the formula C₅H₁₂O₃S. The systematic name of this chemical is 2-methylpropyl methanesulfonate. With the CAS registry number 16156-53-9, it is also named as Isobutyl methanesulfonate.

Physical properties about Methanesulfonic acid, 2-methylpropyl ester are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 0.84; (4)ACD/BCF (pH 5.5): 2.58; (5)ACD/BCF (pH 7.4): 2.58; (6)ACD/KOC (pH 5.5): 68.59; (7)ACD/KOC (pH 7.4): 68.59; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 51.75 Å²; (11)Index of Refraction: 1.428; (12)Molar Refractivity: 35.72 cm³; (13)Molar Volume: 138.8 cm³; (14)Polarizability: 14.16×10^-24cm³; (15)Surface Tension: 32.4 dyne/cm; (16)Density: 1.096 g/cm³; (17)Flash Point: 97 °C; (18)Enthalpy of Vaporization: 45.44 kJ/mol; (19)Boiling Point: 236.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0714 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCC(C)C)C
(2)InChI: InChI=1/C5H12O3S/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3
(3)InChIKey: PZMKMCFRTKGVOL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H12O3S/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3
(5)Std. InChIKey: PZMKMCFRTKGVOL-UHFFFAOYSA-N