CAS No.65140-91-2,Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate] Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65140-91-2
Name:	Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]

Formula:	2(C₁₇H₂₈O₄P)^.Ca
Molecular Weight:	694.84
Synonyms:	Phosphonicacid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester,calcium salt (2:1) (9CI);Calcium (3,5-di-tert-butyl-4-hydroxybenzyl monoethylphosphonate);Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate);Calciumbis[ethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methanephosphonate];Calciumbis[monoethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate];Calcium diethylbis[[[3,5-(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate];IR 1425WL;Irgamod195;Irganox 1425;Irganox 1425WL;
EINECS:	265-512-0
Density:	1.21[at 20℃]
Boiling Point:	408.3 °C at 760 mmHg
Flash Point:	200.7 °C
Solubility:	2.4g/L at 20℃
PSA:	118.34000
LogP:	10.88340

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Specification

The cas register number of Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate] is 65140-91-2. It also can be called as Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1) and the IUPAC Name about this chemical is calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate. It belongs to the Organics.

Physical properties about Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate] are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.26; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 65.57Å²; (12)Enthalpy of Vaporization: 69.62 kJ/mol; (13)Boiling Point: 408.3 °C at 760 mmHg; (14)Vapour Pressure: 2.13E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]P(=O)(OCC)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C.[O-]P(=O)(OCC)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/2C17H29O4P.Ca/c2*1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h2*9-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2
(3)InChIKey: SJEZDMHBMZPMME-NUQVWONBAS
(4)Std. InChI: InChI=1S/2C17H29O4P.Ca/c2*1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h2*9-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2
(5)Std. InChIKey:SJEZDMHBMZPMME-UHFFFAOYSA-L