4-(p-Acetoxyphenyl)-2-butanone - ≥95%(GC) , CAS No.3572-06-3

CAS: 3572-06-3 Cat. No.: P133317 Molecular Weight: 206.24 EC Number: 222-682-0 PubChem CID: 19137

GRADE & PURITY ≥95%(GC)

Synonyms

[4-(3-oxobutyl)phenyl] acetate | CCG-231276 | VS-02205 | Cue lure | Q lure | 4-(4-ACETOXYPHENYL)BUTAN-2-ONE | 4-(p-Hydroxyphenyl)-2-butanone, acetate | AKOS005608358 | SCHEMBL404104 | 4-(3-OXOBUTYL)PHENYLACETATE | Pherocon (4-(4-Acetoxyphenyl)-2-butanone)

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

4-(3-Oxobutyl)phenyl acetate (4-(4-acetoxyphenyl) -2-butanone) is a standard melon fly attractant

4-(3-Oxobutyl)phenyl acetate was used as attractant for detection programs aimed at melon fly and other cuelure-responding Bactrocera fruit flies

Specifications

Synonyms

[4-(3-oxobutyl)phenyl] acetate | CCG-231276 | VS-02205 | Cue lure | Q lure | 4-(4-ACETOXYPHENYL)BUTAN-2-ONE | 4-(p-Hydroxyphenyl)-2-butanone, acetate | AKOS005608358 | SCHEMBL404104 | 4-(3-OXOBUTYL)PHENYLACETATE | Pherocon (4-(4-Acetoxyphenyl)-2-butanone)

Specifications & Purity

≥95%(GC)

Biochemical and Physiological Mechanisms

Potent male insect attractant. Analog of female Dacus cucurbitae melon fly pheromone. Ligand for the insect olfactory receptor complex. Shows more potent male attractant effects than the endogenous chemical in vivo.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504752928
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752928
• Canonical Smiles: CC(=O)CCC1=CC=C(C=C1)OC(=O)C
• IUPAC Name: [4-(3-oxobutyl)phenyl] acetate
• InChIKey: UMIKWXDGXDJQJK-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC(=O)CCC1=CC=C(C=C1)OC(=O)C
• RTECS: EL8950000
• PubChem CID: 19137
• Molecular Weight: 206.24
• Reaxy-Rn: 1961620

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Monocyclic benzene moiety - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.51
• Boil Point(°C): 124 °C/0.2 mmHg
• Molecular Weight: 206.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 206.094 Da
• Monoisotopic Mass: 206.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1