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145017

3-Penten-2-one

70%

Synonym(s):

Methyl propenyl ketone

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About This Item

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
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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

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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pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

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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Certificates of Analysis (COA)

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