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Reference substances

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General information

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Reference substance information

IUPAC name:
Mixture of Phenol. 2-(1-methylethyl)-1.1’.1”-phosphate and Phosphoric acid, 2-(1-methylethyl)phenyl 4-(1-methylethyl)phenyl phenyl ester

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
64532-95-2
Identifier:
CAS number
Identity:
96565-07-0

Molecular and structural information

Molecular formula:
C27H33O4P and C24H27O4P
Molecular weight:
>= 410.443 - <= 452.522
SMILES notation:
Variable, dependant on isomer:

CAS 64532-95-2: C1C=C(C(=CC=1)C(C)C)OP(OC(C=CC1)=C(C=1)C(C)C)(OC(C=CC1)=C(C=1)C(C)C)=O
CAS 96565-07-0: C1C=C(C=CC=1C(C)C)OP(OC(=CC=C1)C=C1)(OC(C=CC1)=C(C=1)C(C)C)=O
InChl:
Variable, dependant on isomer:

CAS 64532-95-2: InChI=1S/C27H33O4P/c1-19(2)22-13-7-10-16-25(22)29-32(28,30-26-17-11-8-14-23(26)20(3)4)31-27-18-12-9-15-24(27)21(5)6/h7-21H,1-6H3
CAS 96565-07-0: InChI=1S/C24H27O4P/c1-18(2)20-14-16-22(17-15-20)27-29(25,26-21-10-6-5-7-11-21)28-24-13-9-8-12-23(24)19(3)4/h5-19H,1-4H3
Structural formula:
Chemical structure