AG003M1A

51503-08-3 | 4-tert-Butoxybenzyl Alcohol

AG003M1A

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CAS Number	51503-08-3
Catalog Number	AG003M1A(AGN-PC-0KNWCG)
Chemical Name	4-tert-Butoxybenzyl Alcohol
EC Number	257-246-9
IUPAC Name	[4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
InChI	InChI=1S/C11H16O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChI Key	HXCIWXCKKJLNMH-UHFFFAOYSA-N
MDL Number	MFCD00082599
Molecular Formula	C11H16O2
Molecular Weight	180.2435
SMILES	OCC1=CC=C(OC(C)(C)C)C=C1
Synonyms	51503-08-3, 4-tert-Butoxybenzyl alcohol, (4-(tert-Butoxy)phenyl)methanol, (4-TERT-BUTOXY-PHENYL)-METHANOL, p-tert-Butoxybenzyl alcohol, (4-TERT-BUTOXYPHENYL)METHANOL, 4-(TERT-BUTOXY)BENZYL ALCOHOL, 4-T-BUTOXYBENZYL ALCOHOL, Benzenemethanol, 4-(1,1-dimethylethoxy)-, [4-[(2-methylpropan-2-yl)oxy]phenyl]methanol, EINECS 257-246-9, AC1MI3GJ, 4-(tert-Butoxy)benzylalcohol, H9N2O3P, SCHEMBL319906, CTK4J4372, DTXSID40199487, ZINC2572161, 7181AB, 7182AB, CL8733, RW1233, AKOS015995794, AB03109, AM84234, TRA0055201, 1-tert-butoxy-4-(hydroxymethyl)benzene, ACM51503083, AJ-41971, AN-41227, AS-46091, Benzenemethanol,4-(1,1-dimethylethoxy)-, CJ-09932, SC-54485, SY015586, AB0066544, AX8046025, DB-071362, TC-030951, FT-0080757, FT-0650943, 4-(1,1-DIMETHYLETHOXY)BENZENEMETHANOL, Z-4326, MFCD00082599 (97+%), C-56845, -methanol, Ammonium hydrogenphosphite, C11H16O2, C11-H16-O2, CID3016675, 877-65-6, 1019021-85-2, 51503-61-8,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.247g/mol
Monoisotopic Mass	180.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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