CAS No.125643-61-0,Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	125643-61-0
Name:	Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate

Formula:	C₂₅H₄₂O₃
Molecular Weight:	390.60
Synonyms:	Antioxidant 1135;Evernox 1135;
EINECS:	406-040-9
Density:	0.965 g/cm³
Melting Point:	＜10 °C
Boiling Point:	444.437 °C at 760 mmHg
Flash Point:	159.151 °C
Solubility:	30-121μg/L at 20℃
Appearance:	colorless to slightly yellow liquid
PSA:	46.53000
LogP:	6.82350

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Specification

The Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-, C7-9-branched alkyl esters is an organic compound with the formula C₂₅H₄₂O₃. The systematic name of this chemical is octyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate. With the CAS registry number 125643-61-0, it is also named as Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate. The product's categorie is industrial / fine chemicals. In addition, it is colorless to slightly yellow liquid which should be sealed in the container.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 14; (8)Index of Refraction: 1.493; (9)Molar Refractivity: 117.929 cm³; (10)Molar Volume: 406.099 cm³; (11)Polarizability: 46.751×10^-24 cm³; (12)Surface Tension: 33.604 dyne/cm; (13)Density: 0.962 g/cm³; (14)Flash Point: 159.151 °C; (15)Enthalpy of Vaporization: 72.929 kJ/mol; (16)Boiling Point: 444.437 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OCCCCCCCC)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C;
2. InChI: InChI=1/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3.