AG003KLH

38861-78-8 | 4'-Isobutylacetophenone

AG003KLH

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CAS Number	38861-78-8
Catalog Number	AG003KLH(AGN-PC-0JM00T)
Chemical Name	4'-Isobutylacetophenone
EC Number	254-159-8
IUPAC Name	1-[4-(2-methylpropyl)phenyl]ethanone
InChI	InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
InChI Key	KEAGRYYGYWZVPC-UHFFFAOYSA-N
MDL Number	MFCD00027393
Molecular Formula	C12H16O
Molecular Weight	176.2548
NSC Number	173015
SMILES	CC(C1=CC=C(CC(C)C)C=C1)=O
UNII	AML715RD20
Synonyms	4-isobutylacetophenone, 4'-Isobutylacetophenone, 38861-78-8, 4-Isobutylacetophenone, 1-(4-Isobutylphenyl)ethanone, p-iso-Butylacetophenone, p-Isobutylacetophenone, Ethanone, 1-[4-(2-methylpropyl)phenyl]-, 1-[4-(2-methylpropyl)phenyl]ethan-1-one, Acetophenone, 4-isobutyl-, 1-[4-(2-methylpropyl)phenyl]ethanone, UNII-AML715RD20, MFCD00027393, 4-lsobutylacetophenone, 4'-(2-Methylpropyl)acetophenone, 1-(4-Isobutylphenyl)ethan-1-one, AML715RD20, KEAGRYYGYWZVPC-UHFFFAOYSA-N, 1-ACETYL-4-ISOBUTYLBENZENE, Ethanone, 1-(4-(2-methylpropyl)phenyl)-, 1-[4-(2-Methylprop-1-yl)phenyl]ethan-1-one, 4'-Isobutylacetophenone, 97%, 1-acetyl-4-(2-methylpropyl)benzene, 1-(4-(2-Methylpropyl)phenyl)ethan-1-one, 1y1&1r dv1, EINECS 254-159-8, Ibuprofen Impurity E, NSC 173015, PubChem3116, AC1L3PQS, AC1Q1P7Z, AC1Q5DX8, SCHEMBL585471, ACMC-209j29, DTXSID6068147, 1-(4-Isobutylphenyl)ethanone #, CTK8B1596, 4\'-(2-Methylpropyl)acetophenone, KS-00000C4D, STR06927, ZINC1697860, ANW-28975, NSC173015, SBB007668, STL194156, AKOS000120632, AS05131, CM11221, FR-0079, MCULE-4265670251, NE10876, NSC-173015, PS-4197, TRA0000063, CJ-06615, CJ-28507, Q294, SC-04073, DB-018599, TR-015636, FT-0639501, I0417, ST50406826, EN300-20906, 1-[4-(2-METHYLPROPYL)PHENYL]ETHANONE IMP E, W-109224, F0001-1102, Z1695906826, InChI=1/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H, 4-iso-Butylacetophenone, 4/'-Isobutylacetophenone, 4'- ACETOPHENONE, C12H16O, Ibuprofen USP Related Compound C, CID93214, 4'-Isobutylacetophenone, 97% 50g, AR-1C5720, C12-H16-O, CS-O-11051, 4'-Isobutylacetophenone, 98% - 100ML 100ml, 40746-65-4,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.259g/mol
Monoisotopic Mass	176.12g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

Lot Number