AG003EXN

5406-86-0 | 2-(4-tert-Butylphenyl)ethanol

AG003EXN

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CAS Number	5406-86-0
Catalog Number	AG003EXN(AGN-PC-0JLRZM)
Chemical Name	2-(4-tert-Butylphenyl)ethanol
EC Number	410-020-5
IUPAC Name	2-(4-tert-butylphenyl)ethanol
InChI	InChI=1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3
InChI Key	NZGMMENPUKHODD-UHFFFAOYSA-N
MDL Number	MFCD00236023
Molecular Formula	C12H18O
Molecular Weight	178.2707
NSC Number	5319
SMILES	CC(C1=CC=C(CCO)C=C1)(C)C
UNII	AES74I7NRU
Synonyms	2-(4-tert-Butylphenyl)ethanol, 5406-86-0, 2-(4-(tert-Butyl)phenyl)ethanol, 4-Tert-Butylphenethyl Alcohol, P-tert-Butyl Phenethyl Alcohol, p-tert-Butylphenethyl alcohol, Phenethyl alcohol, p-(tert-butyl)-, NSC 5319, UNII-AES74I7NRU, AES74I7NRU, BRN 2246595, MFCD00236023, Benzeneethanol, 4-(1,1-dimethylethyl)-, Phenethyl alcohol, p-tert-butyl-, ACMC-1AUNL, AC1Q7CKU, EC 410-020-5, AC1L2XC1, AC1Q1M6F, 2-(p-t-butylphenyl) ethanol, 4-06-00-03434 (Beilstein Handbook Reference), SCHEMBL697688, 2-[4-(t-butyl)phenyl]ethanol, 2-(4-tert-butylphenyl) ethanol, 2-(4-tert-butylphenyl)-ethanol, CTK4J9461, DTXSID40202384, NSC5319, NZGMMENPUKHODD-UHFFFAOYSA-N, OTAVA-BB 1204401, WLN: Q2R DX1&1&1, NSC-5319, ZINC1680847, AC-765, CK1127, STK087129, 2-[4-(tert-butyl)phenyl]ethan-1-ol, AKOS005393649, AS00580, DS-4891, MCULE-6161652495, Benzeneethanol,4-(1,1-dimethylethyl)-, AJ-29647, AK135110, AN-15549, CJ-27640, S738, SC-41912, 4-tert-Butylphenethyl alcohol, AldrichCPR, 2-(4-TERT-BUTYLPHENYL)ETHAN-1-OL, AB0018750, LS-103056, TC-171662, FT-0608693, ST50408188, 2-[4-(1,1-dimethylethyl)phenyl]ethyl alcohol, 2- ethanol, TBPE, C12H18O, CID79410, AR-1C8126, C12-H18-O, ACN-048921, 55401-97-3,

Complexity	138
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	3
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number