3-Penten-2-one - CAS 625-33-2

Catalog:	BB031641
Product Name:	3-Penten-2-one
CAS:	625-33-2

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(E)-pent-3-en-2-one
Description:	3-Penten-2-one is a useful solvent used in the studies of the antioxidant/anti-inflammatory activities of extracts from mushrom trametes used as traditional chinese medicine with various biological activities. Inhibitor (HQ)：200-2000 ppm
Molecular Weight:	84.12
Molecular Formula:	C5H8O
Canonical SMILES:	CC=CC(=O)C
InChI:	InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
InChI Key:	LABTWGUMFABVFG-ONEGZZNKSA-N
Boiling Point:	121 °C
Purity:	95 %
Density:	119 g/cm³
Appearance:	Colorless to slightly yellow clear liquid
Storage:	2-8 °C
MDL:	MFCD00009290
LogP:	1.15150
Vapor Pressure:	39.1 [mmHg]

Publication Number	Title	Priority Date
CN-113457736-A	Application of chitosan/cellulose composite microsphere immobilized copper in catalyzing silicon addition reaction of alpha, beta-unsaturated carbonyl compound	20210630
CN-113372210-A	Preparation method of beta-ionone	20210608
CN-112695549-A	Low-temperature soaping agent for printing of reactive dye and preparation method thereof	20201228
CN-112094074-A	Preparation method of water-soluble super absorbent resin internal curing agent	20200924
WO-2021199940-A1	Manufacturing method for resist composition and pattern forming method	20200331

PMID	Publication Date	Title	Journal
22798854	20120701	(Z)-4-(2-Hy-droxy-anilino)pent-3-en-2-one	Acta crystallographica. Section E, Structure reports online
22272978	20120621	Kinetic investigation of the OH radical and Cl atom initiated degradation of unsaturated ketones at atmospheric pressure and 298 K	The journal of physical chemistry. A
22268598	20120206	Cu(I)/O2 chemistry using a β-diketiminate supporting ligand derived from N,N-dimethylhydrazine: a [Cu3O2]3+ complex with novel reactivity	Inorganic chemistry
22247601	20120101	Okanin, a chalcone found in the genus Bidens, and 3-penten-2-one inhibit inducible nitric oxide synthase expression via heme oxygenase-1 induction in RAW264.7 macrophages activated with lipopolysaccharide	Journal of clinical biochemistry and nutrition
21276778	20110530	Novel alkenal/one reductase activity of yeast NADPH:quinone reductase Zta1p. Prospect of the functional role for the ζ-crystallin family	Chemico-biological interactions

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Carbonyl Compounds

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GHS Hazard Statement:	H225 (11.07%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	72
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	84.057514874
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	84.057514874
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5