AG000692

1020-31-1 | 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-

AG000692

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CAS Number	1020-31-1
Catalog Number	AG000692(AGN-PC-0JL6ZF)
Chemical Name	1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-
EC Number	213-816-9
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI	InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
MDL Number	MFCD00008819
Molecular Formula	C14H22O2
Molecular Weight	222.3233
NSC Number	59767
SMILES	C(C)(C)(C)C1=C(C(O)=CC(=C1)C(C)(C)C)O
UNII	1328KN3F8B
Synonyms	3,5-di-t-butyl catechol, 3,5-di-tert-butylcatechol, 3,5-Di-tert-butylcatechol, 1020-31-1, 3,5-Di-tert-butylpyrocatechol, 3,5-Di-t-butylcatechol, 3,5-di-tert-butylbenzene-1,2-diol, 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-, 4,6-Di-tert-butylpyrocatechol, UNII-1328KN3F8B, 1,2-Benzenediol, 3,5-di(1,1-dimethylethyl)-, Pyrocatechol, 3,5-di-tert-butyl-, 3,5-ditert-butylbenzene-1,2-diol, MFCD00008819, NSC 59767, 3,5-bis(tert-butyl)benzene-1,2-diol, PJZLSMMERMMQBJ-UHFFFAOYSA-N, 1328KN3F8B, FR-0706, 3,5-Di-tert-butyl-1,2-dihydroxybenzene, W-108890, 3,5-Di-tert-butylcatechol, 99%, CCRIS 5827, EINECS 213-816-9, 3,5-di(tert-butyl)benzene-1,2-diol, 3,5-di-t-butylcathechol, ACMC-1BWX5, 3,5-Ditert-butyl-catechol, 3,5-ditertiarybutylcatechol, AC1L24MH, 3,5-di-tert-butyl catechol, 3,5-di-tertio-butylcatechol, Oprea1_834691, 3,5-Di(tert-butyl)catechol, KSC448A4J, SCHEMBL247483, Pyrocatechol,5-di-tert-butyl-, Jsp000256, CHEMBL1795400, DTXSID4061414, CTK3E8044, KS-00000WJY, ZINC57141, 3,5-Di-tert-butylcatechol, 98%, NSC59767, ZX-AT006786, 1, 3,5-di(1,1-dimethylethyl)-, ANW-14633, NSC-59767, SBB007986, 1, 3,5-bis(1,1-dimethylethyl)-, 3,5-Bis(1,1-dimethylethyl)catechol, 3,5-Di-tert-butyl-1,2-benzenediol, 3,5-di(tert-butyl)-1,2-benzenediol, AKOS015837934, MCULE-8096353199, OR22089, PS-7820, RTR-000536, AJ-09609, AK114190, AN-48330, CC-13715, CJ-00452, SC-47210, SY011188, ZB002004, 1,2-Dihydroxy-3,5-di(tert-butyl)benzene, 1,2-dihydroxy-3,5-di-tert-butyl benzene, AX8082984, DB-080799, TR-000536, D2432, FT-0614737, ST50308121, MFCD00008819 (95%), A800501, C-34751, I01-7037, F0001-0073, Z1259339912, 1,2-Benzenediol,3,5-bis(1,1-dimethylethyl)-,labeled with oxygen-18(9ci), 881376-69-8, InChI=1/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H, C14H22O2, CID66099, ZINC00057141, ACN-040348, C14-H22-O2, R119, 1,3-Di(dimethylethyl)-4,5-dihydroxybenzene, 3,5-Di-tert-butylcatechol, 98% - 25G 25g, 122983-47-5,

Complexity	234
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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number