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4-(3-Oxobutyl)phenyl acetate

Catalog Number ACM3572063-1
CAS 3572-06-3
Structure 4-(3-Oxobutyl)phenyl acetate
IUPAC Name [4-(3-oxobutyl)phenyl] acetate
Synonyms 4-(3-Oxobutyl)phenyl acetate;3572-06-3;Cue-lure;4-(p-Acetoxyphenyl)-2-butanone;4-(4-Acetoxyphenyl)-2-butanone;Cuelure;Q-Lure;p-(3-Oxobutyl)phenyl acetate;Pherocon QFF;4-(p-Hydroxyphenyl)-2-butanone acetate;2-Butanone, 4-[4-(acetyloxy)phenyl]-;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-(p-HYDROXYPHENYL)-, ACETATE;[4-(3-oxobutyl)phenyl] acetate;NSC 39438;4-(p-Hydroxyphenyl)-2-butanone, acetate;UNII-040RZ09S0V;040RZ09S0V;2-Butanone, 4-(4-(acetyloxy)phenyl)-;4-[4-(Acetyloxy)phenyl]-2-Butanone;FEMA No. 3652;Hydroxyphenylbutanone acetate, p-;4-(4-Acetyloxyphenyl)-2-butanone;NSC39438;EINECS 222-682-0;EINECS 248-136-1;BRN 1961620;PubChem19488;ACMC-1AIGF;AI3-31833;DSSTox_CID_15481;DSSTox_RID_79259;DSSTox_GSID_35481;WLN: 1VOR D2V1;26952-37-4;SCHEMBL404104;4-(3-Oxobutyl)phenyl acetate?;CHEMBL3187562;DTXSID2035481;FEMA 3652;4-(3-Oxobutyl)phenyl acetate #;HY-N7099;ZINC1671375;Tox21_301631;ANW-13838;BBL009830;MFCD00008704;NSC-39438;s5348;STK801281;4-(3-Oxobutyl)phenyl acetate, 98%;AKOS005608358;CCG-231276;CS-W015323;MCULE-7427758101;Acetic Acid 4-(3-Oxobutyl)phenyl Ester;NCGC00255478-01;O308;VS-02205;CAS-3572-06-3;Cuelure, PESTANAL(R), analytical standard;DB-002679;FT-0634909;Pherocon (4-(4-Acetoxyphenyl)-2-butanone);4-(p-Acetoxyphenyl)-2-butanone, >=96%, FG;W-106654;Q15632725
Molecular Weight 206.24g/mol
Molecular Formula C12H14O3
Canonical SMILES CC(=O)CCC1=CC=C(C=C1)OC(=O)C
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
Density 1.096-1.100
Solubility insoluble in water; soluble in fat;miscible (in ethanol)
Application 4-(3-Oxobutyl)phenyl Acetate is a sexual attractant. Pheromone.
Complexity 227
Covalently-Bonded Unit Count 1
EC Number 222-682-0;248-136-1
Exact Mass 206.094294304g/mol
Heavy Atom Count 15
Hydrogen Bond Acceptor Count 3
Monoisotopic Mass 206.094294304g/mol
NSC Number 39438
References Kumaran, N., et al.: J. Insect Physiol., 68, 36 (2014); Jang, E. B., et al.: J.Econ. Entomol., 100, 1124 (2007); Casana-Giner, V., et al.: J. Entomol. Sci., 38, 120 (2003)
Refractive Index 1.506-1.512
Rotatable Bond Count 5
Topological Polar Surface Area 43.4Ų
UNII 040RZ09S0V
X Log P3 1.7
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