AG000WIR

127-54-8 | Phenol, 4,4'-(1-methylethylidene)bis[2-(1-methylethyl)-

AG000WIR

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CAS Number	127-54-8
Catalog Number	AG000WIR(AGN-PC-0WD6WE)
Chemical Name	Phenol, 4,4'-(1-methylethylidene)bis[2-(1-methylethyl)-
IUPAC Name	4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
InChI	InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3
InChI Key	IJWIRZQYWANBMP-UHFFFAOYSA-N
MDL Number	MFCD08276311
Molecular Formula	C21H28O2
Molecular Weight	312.4458
NSC Number	21526
SMILES	CC(C1=CC=C(O)C(C(C)C)=C1)(C2=CC=C(O)C(C(C)C)=C2)C
Synonyms	127-54-8, 2,2-Bis(4-hydroxy-3-isopropylphenyl)propane, 4,4'-(Propane-2,2-diyl)bis(2-isopropylphenol), Bisphenol G, KUC105975N, KSC-7-289, 4,4'-Isopropylidenebis(2-isopropylphenol), 4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol, 4-[2-(4-hydroxy-3-propan-2-yl-phenyl)propan-2-yl]-2-propan-2-yl-phenol, NSC21526, AC1L5GAT, 4,4'-propane-2,2-diylbis(2-isopropylphenol), AC1Q7A8Y, ACMC-1C0T6, SCHEMBL124727, cid_228537, Bisphenol G, analytical standard, CHEMBL1720724, BDBM76092, CTK0H8440, DTXSID30281401, IJWIRZQYWANBMP-UHFFFAOYSA-N, ZINC1583666, ANW-18978, MFCD08276311, NSC-21526, AKOS015856144, Phenol,4'-isopropylidenebis[2-isopropyl-, 2,2-bis(4-hydroxy-3isopropylphenyl)propane, TR-031734, I14-107985, Phenol,4'-(1-methylethylidene)bis[2-(1-methylethyl)-, Phenol, 4,4'-(1-methylethylidene)bis[2-(1-methylethyl)-, 4-[1-(4-hydroxy-3-isopropyl-phenyl)-1-methyl-ethyl]-2-isopropyl-phenol, 4-[2-(4-oxidanyl-3-propan-2-yl-phenyl)propan-2-yl]-2-propan-2-yl-phenol, Noname, AR-1F8144, CID228537, 149-39-3,

Complexity	340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.209g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	312.453g/mol
Monoisotopic Mass	312.209g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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