Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)-

Related Products

Hot Products

Name

Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)-

EINECS N/A
CAS No. 85213-22-5 Density 1.09 g/cm3
PSA 29.43000 LogP 0.24580
Solubility N/A Melting Point N/A
Formula C6H9NO Boiling Point 182.9 °C at 760 mmHg
Molecular Weight 111.144 Flash Point 66.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85213-22-5 (Ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI)) Hazard Symbols N/A
Synonyms

2-Acetyl-1-pyrroline;2-Acetyl-4,5-dihydro-3H-pyrrole;

Article Data 18

Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)- Specification

The Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)-, with the CAS registry number 85213-22-5, is also known as 2-Acetyl-1-pyrroline. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C6H9NO and molecular weight is 111.14176. What's more, both its IUPAC name and systematic name are the same which is called 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone. It is isolated from rice and identified as the compound responsible for the flavor and aroma of scented rice after cooking. This chemical is an aroma compound and flavor that gives white bread, jasmine rice and basmati rice, the spice pandan (Pandanus amaryllifolius), and bread flowers (Vallaris glabra) their typical smell.

Physical properties about Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)- are: (1) ACD/LogP: -1.27; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.67; (4) ACD/LogD (pH 7.4): -1.28; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1.93; (8) ACD/KOC (pH 7.4): 4.76; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 29.43 Å2; (13) Index of Refraction: 1.531; (14) Molar Refractivity: 31.36 cm3; (15) Molar Volume: 101.3 cm3; (16) Surface Tension: 36.4 dyne/cm; (17) Density: 1.09 g/cm3; (18) Flash Point: 66.2 °C; (19) Enthalpy of Vaporization: 41.91 kJ/mol; (20) Boiling Point: 182.9 °C at 760 mmHg; (21) Vapour Pressure: 0.793 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C1=N/CCC1)C
(2) InChI: InChI=1/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
(3) InChIKey: DQBQWWSFRPLIAX-UHFFFAOYAG

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 85213-22-5