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Basic Description
| Synonyms | Benzylideneacetone | Benzalacetone | 1896-62-4 | 122-57-6 | 4-Phenylbut-3-en-2-one | (E)-4-phenylbut-3-en-2-one | Methyl styryl ketone | Acetocinnamone | 4-PHENYL-3-BUTEN-2-ONE | trans-Benzylideneacetone | trans-4-Phenyl-3-buten-2-one | Benzylidene acetone | (E)-4-Phenyl-3-buten |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Styrenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Styrene - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - 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 styrenes. These are organic compounds containing an ethenylbenzene moiety. |
| External Descriptors | benzylideneacetone |
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Associated Targets(Human)
NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
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GSTM1
Tbio
Glutathione S-transferase Mu 1 (61 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GLA
Tclin
Alpha-galactosidase A (5444 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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Raji (5516 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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KB (17409 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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Associated Targets(non-human)
Cryz
Quinone oxidoreductase (288 Activities)
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Escherichia coli (133304 Activities)
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Rattus norvegicus (775804 Activities)
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Plutella xylostella (1838 Activities)
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Culex quinquefasciatus (137 Activities)
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Spodoptera exigua (540 Activities)
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Phenol oxidase (19 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
|---|---|
| INCHI | InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| InChIKey | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Smiles | CC(=O)C=CC1=CC=CC=C1 |
| Isomeric SMILES | CC(=O)/C=C/C1=CC=CC=C1 |
| WGK Germany | 3 |
| RTECS | EN0330050 |
| Molecular Weight | 146.19 |
| Beilstein | 742047 |
| Reaxy-Rn | 742046 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742046&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Air sensitive；light sensitive |
|---|---|
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | >110 °C |
| Boil Point(°C) | 260-262°C |
| Melt Point(°C) | 39-41°C |
| Molecular Weight | 146.190 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 146.073 Da |
| Monoisotopic Mass | 146.073 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 152.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Wen Xiaoyu, Pan Xiaona, Wu Libin, Li Ruinan, Wang Dan, Zhang Jinqiu, Yang Peixia. (2017) Preparation of textural lamellar tin deposits via electrodeposition. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 123 (6): (1-4). |
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