AG003M1L

939-97-9 | 4-tert-Butylbenzaldehyde

AG003M1L

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CAS Number	939-97-9
Catalog Number	AG003M1L(AGN-PC-0JL9M9)
Chemical Name	4-tert-Butylbenzaldehyde
EC Number	213-367-9
IUPAC Name	4-tert-butylbenzaldehyde
InChI	InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChI Key	OTXINXDGSUFPNU-UHFFFAOYSA-N
MDL Number	MFCD00035742
Molecular Formula	C11H14O
Molecular Weight	162.2283
SMILES	C(C)(C)(C)c1ccc(cc1)C=O
UNII	QXF0QY8503
Synonyms	4-tert-Butylbenzaldehyde, 939-97-9, 4-(tert-Butyl)benzaldehyde, p-t-Butylbenzaldehyde, p-Tertbutyl Benzaldehyde, Benzaldehyde, 4-(1,1-dimethylethyl)-, p-tert-Butylbenzaldehyde, 4-t-butylbenzaldehyde, 4-Tert-ButYl-Benzaldehyde, UNII-QXF0QY8503, QXF0QY8503, OTXINXDGSUFPNU-UHFFFAOYSA-N, MFCD00035742, 4-tert-Butylbenzaldehyde, 95%, 4-Tert-Butyl Benzaldehyde, Benzaldehyde, p-tert-butyl-, EINECS 213-367-9, 4-tertbutylbenzaldehyde, 4-t-butyl benzaldehyde, 4-t-butyl-benzaldehyde, p-tert.butylbenzaldehyde, ACMC-209rol, 4-(t-butyl)benzaldehyde, AI3-37199, AC1L2DUA, p-tert.-butylbenzaldehyde, p-tert.butyl-benzaldehyde, para-t-butyl benzaldehyde, 4-tert.-butylbenzaldehyde, DSSTox_CID_7343, p-tert.-butyl-benzaldehyde, EC 213-367-9, AC1Q6Q5X, p-Tert-butylbenzaldehyde, g, para-tert.-butylbenzaldehyde, DSSTox_RID_78416, DSSTox_GSID_27343, SCHEMBL43060, KSC205I1F, AC1Q1M63, CHEMBL242962, 4-tert-Butylbenzaldehyde, 97%, DTXSID6027343, BDBM85652, TIMTEC-BB SBB008564, 4-(1,1-dimethylethyl)benzaldehyde, BCP26913, KS-00000W1H, STR02262, ZINC1845477, AKOS BBS-00003171, P-TERTIARY-BUTYL BENZALDEHYDE, Tox21_200452, 4-(1,1-Dimethylethyl)-benzaldehyde, ANW-40147, BBL011456, KM3243, LABOTEST-BB LT00689343, SBB008564, STL146568, AKOS000120098, AS03004, MCULE-6669833393, PS-8753, RP22538, RP22539, RTR-030872, TRA0097372, NCGC00248626-01, NCGC00258006-01, AC-15537, AK-72804, AN-22271, BC209231, BR-72804, CAS-939-97-9, CJ-07124, CJ-30080, O223, SC-25986, DB-057459, TR-030872, FT-0619491, ST50213359, I14-8029, W-100220, InChI=1/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H, butyl benzaldehyde, p-TBB, C11H14O, AIDS081349, CID70324, AR-1L2515, C11-H14-O, B1760, 4-tert-Butylbenzaldehyde, 96% - 25G 25g, A15921, 99634-12-5, TBB,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.104g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.232g/mol
Monoisotopic Mass	162.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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