145017
3-Penten-2-one
70%
Synonym(s):
Methyl propenyl ketone
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About This Item
Linear Formula:
CH3CH=CHCOCH3
CAS Number:
Molecular Weight:
84.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-888-3
Beilstein/REAXYS Number:
1633505
MDL number:
Assay:
70%
Form:
liquid
vapor pressure
760 mmHg ( 121 °C)
Quality Level
assay
70%
form
liquid
impurities
<2% ethanol, 30% mesityl oxide
refractive index
n20/D 1.437 (lit.)
bp
121-124 °C (lit.)
density
0.862 g/mL at 25 °C (lit.)
functional group
ketone
SMILES string
CC(C=CC)=O
InChI
1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InChI key
LABTWGUMFABVFG-UHFFFAOYSA-N
General description
3-Penten-2-one is volatile compound present in berry fruit of two Aronia melanocarpa genotypes. Urinary 3-penten-2-one is a useful biomarker for increased accumulation of acetaldehyde during abnormal metabolic stress.
Application
3-Penten-2-one was used in the synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C.
Biochem/physiol Actions
3-Penten-2-one inhibits nitric oxide production and inducible nitric oxide synthase expression via heme oxygenase-1 expression in lipopolysaccharide-activated RAW264.7 macrophages.
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
69.8 °F - closed cup
flash_point_c
21 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Jin-Sang Kil et al.
Journal of clinical biochemistry and nutrition, 50(1), 53-58 (2012-01-17)
Excess production of nitric oxide by activated macrophages via inducible nitric oxide synthase leads to the development of various inflammatory diseases. Heme oxygenase-1 expression via activation of nuclear factor-erythroid 2-related factor 2 inhibits nitric oxide production and inducible nitric oxide
Valerie Walker et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 877(8-9), 784-790 (2009-02-28)
Diagnostic profiling of urine for volatile compounds of around 400 patients using headspace solid-phase microextraction (HS-SPME) in alkaline conditions identified 3-penten-2-one (approximately 1 to >6.3 micromol/L) in 26 patients. Five were in barbiturate coma. 3-Penten-2-one, previously of unknown origin, was
Douglass F Taber et al.
The Journal of organic chemistry, 75(16), 5737-5739 (2010-08-14)
Preparatively useful conjugate addition of lithiated methyl pyridines to cyclic and acyclic enones is reported. Addition of 2-picoline to 3-penten-2-one led to a concise synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C.
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 145017-25G | 04061836691134 |
| 145017-1G | 04061836682385 |
| 145017-5G | 04061836682392 |