AG0039NP

65140-91-2 | Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]

AG0039NP

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CAS Number	65140-91-2
Catalog Number	AG0039NP(AGN-PC-0TFKTA)
Chemical Name	Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]
EC Number	265-512-0
IUPAC Name	calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate
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
InChI Key	SJEZDMHBMZPMME-UHFFFAOYSA-L
MDL Number	MFCD00134698
Molecular Formula	C34H56CaO8P2
Molecular Weight	694.8292
SMILES	C(C)(C)(C)C=1C=C(CP([O-])(=O)OCC)C=C(C1O)C(C)(C)C.C(C)(C)(C)C=1C=C(CP([O-])(=O)OCC)C=C(C1O)C(C)(C)C.[Ca+2]
UNII	9BO934602W
Synonyms	65140-91-2, Antioxidant 1425, UNII-9BO934602W, Ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate, calcium salt, 9BO934602W, Irganox 1425, Calcium ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate, Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1), Phosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, monoethyl ester, calcium salt (2:1), EINECS 265-512-0, AC1L2UGI, EC 265-512-0, SCHEMBL150785, DTXSID9044249, EBD3428, calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate), calcium (3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate, AKOS015914822, AN-38677, I14-6739, calcium (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-ethoxy-phosphinate, Calcium diethyl bis(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate), C17H29O4P.1/2Ca, AR-1I1585, CID103255, C17-H29-O4-P.1/2Ca, Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate], calcium bis(monoethyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate), calcium bis[ethyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate], CALCIUM BIS(MONOETHYL(3,5-DI-TERT-BUTYL- 4-HYDROXYBENZYL)PHOSPHONATE), 6754-16-1, Phosphonic acid, [[3,5-bis(1,1-dimethylethyl) -4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1), Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1),

Complexity	376
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	694.308g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	694.84g/mol
Monoisotopic Mass	694.308g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H335
Precuationary statements	P261
Siginal words

Certificate of Analysis

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