AG003HXM

96-70-8 | 2-(tert-Butyl)-4-ethylphenol

AG003HXM

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CAS Number	96-70-8
Catalog Number	AG003HXM(AGN-PC-0JK80Y)
Chemical Name	2-(tert-Butyl)-4-ethylphenol
EC Number	202-526-8
IUPAC Name	2-tert-butyl-4-ethylphenol
InChI	InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
InChI Key	LZHCVNIARUXHAL-UHFFFAOYSA-N
MDL Number	MFCD00069413
Molecular Formula	C12H18O
Molecular Weight	178.2707
SMILES	CCC1=CC(=C(O)C=C1)C(C)(C)C
UNII	P944B16873
Synonyms	2-tert-butyl-4-ethylphenol, 2-tert-Butyl-4-ethylphenol, 96-70-8, 2-(tert-Butyl)-4-ethylphenol, 2-T-BUTYL-4-ETHYLPHENOL, Phenol, 2-(1,1-dimethylethyl)-4-ethyl-, UNII-P944B16873, 2-tert-butyl-4-ethyl-phenol, P944B16873, HSDB 5305, 4-Ethyl-2-tert-butylphenol, Phenol, 2-tert-butyl-4-ethyl-, EINECS 202-526-8, AC1Q2TOP, Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-, ACMC-209s7i, AC1L1OH4, AC1Q7A8X, DSSTox_CID_24581, DSSTox_RID_80329, DSSTox_GSID_44581, KSC490K9H, SCHEMBL245857, CHEMBL224237, DTXSID4044581, CTK3J0593, KS-00000QLV, LZHCVNIARUXHAL-UHFFFAOYSA-, LZHCVNIARUXHAL-UHFFFAOYSA-N, 2-tert-Butyl-4-ethylphenol, 99%, ZINC2041170, Tox21_300390, 6776AC, ANW-40828, MFCD00069413, AKOS000120797, MCULE-2611729076, NE11169, TRA0071866, CAS-96-70-8, NCGC00248017-01, NCGC00254521-01, AJ-33285, AK-88056, AN-42806, CJ-07671, CJ-32528, DS-18425, RT-002360, FT-0613421, ST24021916, I01-6993, W-109362, [2-(methylamino)acetyl] (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoate, InChI=1/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3, C12H18O, CID7309, AR-1E5449, C12-H18-O, B1810, 3968-03-4,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.136g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.275g/mol
Monoisotopic Mass	178.136g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number