241091
trans-4-Phenyl-3-buten-2-one
≥99%
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About This Item
Linear Formula:
C6H5CH=CHCOCH3
CAS Number:
Molecular Weight:
146.19
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
217-587-6
MDL number:
Assay:
≥99%
Form:
solid
vapor pressure
0.01 mmHg ( 25 °C)
Quality Level
assay
≥99%
form
solid
bp
260-262 °C (lit.)
mp
39-41 °C (lit.)
solubility
alcohol: freely soluble(lit.), benzene: freely soluble(lit.), chloroform: freely soluble(lit.), diethyl ether: freely soluble(lit.), petroleum ether: very slightly soluble(lit.), water: very slightly soluble(lit.)
functional group
ketone, phenyl
SMILES string
CC(=O)\C=C\c1ccccc1
InChI
1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChI key
BWHOZHOGCMHOBV-BQYQJAHWSA-N
General description
trans-4-Phenyl-3-buten-2-one forms trans-4-(4-hydroxyphenyl)-3-buten-2-one (4-OH-PBO) as a metabolite when incubated with liver microsomes of untreated rats in the presence of NADPH.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
>230.0 °F
flash_point_c
> 110 °C
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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Bin Cao et al.
Organic & biomolecular chemistry, 10(6), 1239-1245 (2011-12-20)
An efficient and easy procedure to synthesize the pyridinyl analogues of dibenzylideneacetone (pyr-dba) was developed by the condensation of substituted nicotinaldehyde and acetone in the presence of K(2)CO(3) in toluene-EtOH-H(2)O solvent system. Structurally diverse pyr-dba, including quinolinyl dba, can be
Jiyong Zhang et al.
The Journal of organic chemistry, 71(7), 2918-2921 (2006-03-25)
The first efficient asymmetric synthesis of obolactone 1 has been accomplished in 11 steps and with a 15% overall yield in which Brown's enantioselective allylation reactions and ring-closing metathesis reaction are key steps.
Bowon Kwon et al.
Journal of economic entomology, 101(1), 36-41 (2008-03-12)
Benzylideneacetone (BZA) is a metabolite of gram-negative entomopathogenic bacterium Xenorhabdus nematophila, and it acts as an enzyme inhibitor against phospholipase A2 (PLA2). PLA2 catalyzes a committed biosynthetic step of eicosanoids, which mediate insect immune reactions to infection by microbial pathogens.
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 241091-50G | 04061831828986 |