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Key Documents

145017

Sigma-Aldrich

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
Beilstein:
1633505
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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

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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.

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Dermal - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

69.8 °F - closed cup

Flash Point(C)

21 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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