AG003K22

3572-06-3 | 4-(4-Acetoxyphenyl)-2-butanone

AG003K22

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CAS Number	3572-06-3
Catalog Number	AG003K22(AGN-PC-0JKEI2)
Chemical Name	4-(4-Acetoxyphenyl)-2-butanone
FEMA Number	3652
IUPAC Name	[4-(3-oxobutyl)phenyl] acetate
InChI	InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
InChI Key	UMIKWXDGXDJQJK-UHFFFAOYSA-N
MDL Number	MFCD00008704
Molecular Formula	C12H14O3
Molecular Weight	206.2378
NSC Number	39438
SMILES	C(C)(=O)OC1=CC=C(C=C1)CCC(C)=O
UNII	040RZ09S0V
Synonyms	4-(p-acetoxyphenyl)-2-butanone, Cue-Lure, 4-(3-Oxobutyl)phenyl acetate, 3572-06-3, 4-(p-Acetoxyphenyl)-2-butanone, Cue-lure, 4-(4-Acetoxyphenyl)-2-butanone, Pherocon QFF, Q-Lure, p-(3-Oxobutyl)phenyl acetate, Cuelure, para-(2-Acetylethyl)phenyl acetate, Acetate of 4-(hydroxyphenyl)-2-butanone, 4-ACETOXYPHENYL-2-BUTANONE, ENT-32833, 4-(4-(Acetyloxy)phenyl)-2-butanone, 2-Butanone, 4-[4-(acetyloxy)phenyl]-, NSC 39438, 2-BUTANONE, 4-(p-HYDROXYPHENYL)-, ACETATE, 4-(p-Hydroxyphenyl)-2-butanone acetate, 4-(p-Hydroxyphenyl)-2-butanone, acetate, UNII-040RZ09S0V, FEMA No. 3652, Hydroxyphenylbutanone acetate, p-, [4-(3-oxobutyl)phenyl] acetate, 040RZ09S0V, 4-(4-Acetyloxyphenyl)-2-butanone, EINECS 222-682-0, BRN 1961620, 2-Butanone, 4-(4-(acetyloxy)phenyl)-, AI3-31833, 4-[4-(Acetyloxy)phenyl]-2-Butanone, NSC39438, EINECS 248-136-1, PubChem19488, ACMC-1AIGF, AC1L2DIU, AC1Q1K5G, DSSTox_CID_15481, DSSTox_RID_79259, DSSTox_GSID_35481, WLN: 1VOR D2V1, SCHEMBL404104, CHEMBL3187562, DTXSID2035481, CTK6A0180, FEMA 3652, 4-(3-Oxobutyl)phenyl acetate #, UMIKWXDGXDJQJK-UHFFFAOYSA-N, ZINC1671375, Tox21_301631, ANW-13838, BBL009830, MFCD00008704, NSC-39438, STK801281, 4-(3-Oxobutyl)phenyl acetate, 98%, AKOS005608358, CCG-231276, MCULE-7427758101, KS-000016R0, TRA-0200936, Acetic Acid 4-(3-Oxobutyl)phenyl Ester, NCGC00255478-01, 26952-37-4, AJ-29207, CJ-27157, LS-46811, O308, CAS-3572-06-3, Cuelure, PESTANAL(R), analytical standard, DB-002679, TC-102583, TL8002651, FT-0634909, 4-(p-Acetoxyphenyl)-2-butanone, >=96%, FG, I01-0953, W-106654, hdsf, 2-Butanone, acetate, 4- -2-butanone, 1-Hexadecanesulfonyl fluoride, C12H14O3, 1-HEXADECYLSULFONYL FLUORIDE, CID19137, C12-H14-O3, A2368, 4-(4-Acetoxyphenyl)-2-butanone, 98% - 100G 100g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H402
Packing Group	Ⅲ
Precautionary statements	P273-P501
UN Code	UN 3082

Certificate of Analysis

Lot Number