145017

3-Penten-2-one

70%

• Synonym(s): Methyl propenyl ketone
• Linear Formula: CH₃CH=CHCOCH₃
• CAS Number: 625-33-2
• Molecular Weight: 84.12
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24848542
• EC Number: 210-888-3
• Beilstein/REAXYS Number: 1633505
• MDL number: MFCD00009290
• Assay: 70%
• Form: liquid

Properties

• vapor pressure: 760 mmHg ( 121 °C)
• Quality Segment: 100
• 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

Description

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.

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Codes: H225,H311,H315,H319,H335
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• 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 (personal protective equipment): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter