AG003KJY

5374-06-1 | 4,6-Di-tert-butylresorcinol

AG003KJY

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CAS Number	5374-06-1
Catalog Number	AG003KJY(AGN-PC-0JLRXW)
Chemical Name	4,6-Di-tert-butylresorcinol
EC Number	226-366-3
IUPAC Name	4,6-ditert-butylbenzene-1,3-diol
InChI	InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3
InChI Key	KJFMXIXXYWHFAN-UHFFFAOYSA-N
MDL Number	MFCD00044513
Molecular Formula	C14H22O2
Molecular Weight	222.3233
SMILES	C(C)(C)(C)C1=C(C=C(O)C(=C1)C(C)(C)C)O
UNII	4W0IAD4I0R
Synonyms	5374-06-1, 4,6-Di(tert-butyl)benzene-1,3-diol, 4,6-di-tert-butylbenzene-1,3-diol, 4,6-Di-tert-butylresorcinol, 1,3-Benzenediol, 4,6-bis(1,1-dimethylethyl)-, 4,6-di-t-butylresorcinol, CCRIS 5829, UNII-4W0IAD4I0R, 4W0IAD4I0R, 4,6-Di-(tert-butyl)benzene-1,3-diol, 4,6-Bis(1,1-dimethylethyl)-1,3-benzenediol, KJFMXIXXYWHFAN-UHFFFAOYSA-N, 4,6-ditert-butylbenzene-1,3-diol, EINECS 226-366-3, BRN 2049541, 1,3-Benzenediol,4,6-bis(1,1-dimethylethyl)-, AC1L2X6D, AC1Q79ZL, ACMC-1AM68, SCHEMBL67854, CBDivE_015183, CHEMBL1795401, DTXSID0063818, CTK4J8705, KJFMXIXXYWHFAN-UHFFFAOYSA-, KS-00002ATF, ZINC157885, STR08709, ZX-AT001382, MFCD00044513, AKOS004909076, 4,6-bis(tert-butyl)benzene-1,3-diol, 4,6-Ditert-butyl-1,3-benzenediol #, MCULE-6780126791, OR22090, PS-7821, RP05254, VZ27594, CC-17346, LS-29934, ZB006787, DB-026164, TC-169167, FT-0635652, ST50993788, Y9383, Y-8987, 4,6-Di-tert-butylresorcinol, >=99.0% (GC), C-12434, J-514107, I01-18967, InChI=1/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3, C14H22O2, CID79337, AR-1F8753, 4,6-DI BENZENE-1,3-DIOL, 4-06-00-06074 (Beilstein Handbook Reference), 5463-02-5,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.162g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.328g/mol
Monoisotopic Mass	222.162g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number