CAS No.123599-78-0,[(2-Methyl-1-propionylpropoxy)(4-phenylbutyl)phosphinoyl]acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123599-78-0
Name:	[(2-Methyl-1-propionylpropoxy)(4-phenylbutyl)phosphinoyl]acetic acid
Article Data:	5

Formula:	C₁₉H₂₉O₆P
Molecular Weight:	384.409
Synonyms:	Aceticacid, [[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]- (9CI);
EINECS:	602-944-4
Density:	1.154 g/cm³
Boiling Point:	519.841 °C at 760 mmHg
Flash Point:	268.191 °C
Appearance:	Brown crystal
PSA:	99.71000
LogP:	4.32390

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Specification

The [(2-Methyl-1-propionylpropoxy)(4-phenylbutyl)phosphinoyl]acetic acid, with the CAS registry number 123599-78-0, is also known as Propanoic acid, 1-[[(carboxymethyl)(4-phenylbutyl)phosphinyl]oxy]-2-methylpropyl ester. This chemical's molecular formula is C₁₉H₂₉O₆P and molecular weight is 384.41. Its systematic name is called 2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetic acid.

Physical properties of [(2-Methyl-1-propionylpropoxy)(4-phenylbutyl)phosphinoyl]acetic acid: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 0.28; (4)#H bond acceptors: 6; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 13; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 98.63 cm³; (9)Molar Volume: 333.1 cm³; (10)Surface Tension: 43.2 dyne/cm; (11)Density: 1.153 g/cm³; (12)Flash Point: 268.2 °C; (13)Enthalpy of Vaporization: 83.45 kJ/mol; (14)Boiling Point: 519.8 °C at 760 mmHg; (15)Vapour Pressure: 1.24E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCc1ccccc1)CC(=O)O
(2)InChI: InChI=1/C19H29O6P/c1-4-18(22)24-19(15(2)3)25-26(23,14-17(20)21)13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,19H,4,8-9,12-14H2,1-3H3,(H,20,21)
(3)InChIKey: BGHVPSAAFKIBID-UHFFFAOYAO