AG000Q1C

120-95-6 | PHENOL, 2,4-BIS(1,1-DIMETHYLPROPYL)-

AG000Q1C

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CAS Number	120-95-6
Catalog Number	AG000Q1C(AGN-PC-0JK8K4)
Chemical Name	PHENOL, 2,4-BIS(1,1-DIMETHYLPROPYL)-
EC Number	204-439-0
IUPAC Name	2,4-bis(2-methylbutan-2-yl)phenol
InChI	InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChI Key	WMVJWKURWRGJCI-UHFFFAOYSA-N
MDL Number	MFCD00041929
Molecular Formula	C16H26O
Molecular Weight	234.3770
NSC Number	158351
SMILES	OC1=CC=C(C(C)(C)CC)C=C1C(C)(C)CC
UNII	852F1HP88H
Synonyms	2,4-Di-tert-pentylphenol, 120-95-6, 2,4-Di-tert-amylphenol, 2,4-Bis(1,1-dimethylpropyl)phenol, Phenol, 2,4-bis(1,1-dimethylpropyl)-, 2,4-DI-T-PENTYLPHENOL, Di-tert-amylphenol, Prodox 156, Phenol, 2,4-di-tert-pentyl-, 2,4-bis(2-methylbutan-2-yl)phenol, HSDB 5588, UNII-852F1HP88H, EINECS 204-439-0, NSC 158351, BRN 2370274, WMVJWKURWRGJCI-UHFFFAOYSA-N, 852F1HP88H, DSSTox_CID_6974, DSSTox_RID_78270, DSSTox_GSID_26974, W-108467, CAS-120-95-6, 2,4-di-t-amylphenol, 2,4-di-t-amyl phenol, AC1Q2RWT, 2,4-di-tert-Pentylphenyl, ACMC-209a8t, Phenol,4-di-tert-pentyl-, 2,4-di-(tert-amyl)phenol, SCHEMBL80891, 3-06-00-02085 (Beilstein Handbook Reference), KSC493S2R, AC1L1R17, CHEMBL1890694, DTXSID9026974, CTK3J3928, WMVJWKURWRGJCI-UHFFFAOYSA-, 2,4-Di-tert-amylphenol, 99%, 2,4-di(1,1-dimethylpropyl)phenol, ZINC1605946, Tox21_202168, Tox21_300090, ANW-17547, MFCD00041929, NSC158351, Phenol,4-bis(1,1-dimethylpropyl)-, SBB061226, 2,4-bis-(1,1-Dimethylpropyl)phenol, AKOS009028944, IMED104554481, MCULE-8434314743, NSC-158351, NCGC00164151-01, NCGC00164151-02, NCGC00164151-03, NCGC00254009-01, NCGC00259717-01, AJ-28132, AK-58808, AN-43369, CJ-05730, CJ-25900, L083, ST081379, LS-104578, RT-001776, D3294, D5320, FT-0657965, A804626, C-47401, I01-6478, I14-44607, InChI=1/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3, 2,4-di-tert-amyl phenol, C16H26O, CID8455, C16-H26-O, C(C)(C)(CC)c1cc(ccc1O)C(C)(C)CC,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.198g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.383g/mol
Monoisotopic Mass	234.198g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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