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

2-Propanone-1-d (9CI)

Related Products

Hot Products

Name

2-Propanone-1-d (9CI)

EINECS N/A
CAS No. 4468-52-4 Density 0.786 g/cm3
PSA 17.07000 LogP 0.59530
Solubility N/A Melting Point N/A
Formula C3H5DO Boiling Point 46.5 °C at 760 mmHg
Molecular Weight 59.0721 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4468-52-4 (acetone) Hazard Symbols N/A
Synonyms

Acetone-d(6CI,7CI,8CI);Monodeuterioacetone;

Article Data 12

2-Propanone-1-d (9CI) Synthetic route

24300-67-2

5,5-dideuterio-hexan-2-one

A

1184-59-4

propene-2-d1

B

4468-52-4

acetone-d1

C

67-64-1

acetone

Conditions
ConditionsYield
at 27℃; under 7 Torr; in der Dampfphase durch gefiltertes Licht (lambda: 313nm).Photolysis;
at 27℃; under 7 Torr; in der Dampfphase durch ungefiltertes Licht einer Quecksilber-Mitteldruck-Lampe.Photolysis;
67-64-1

acetone

A

19214-95-0

(2-2H)propan-2-(2H)ol

B

4468-52-4

acetone-d1

C

31590-78-0

acetone-d2

D

7379-29-5

acetone-d3

Conditions
ConditionsYield
With deuterium; palladium on activated charcoal at -0.1 - 149.9℃; Product distribution; various catalysts, other ketones;
4468-52-4

acetone-d1

4789-21-3

ketene-d2

Conditions
ConditionsYield
With nickel-chromium-iron
4468-52-4

acetone-d1

67-64-1

acetone

60032-17-9

deuterioketene

Conditions
ConditionsYield
With nickel-chromium-iron Pyrolysis;

2-Propanone-1-d (9CI) Specification

The 2-Propanone-1-d (9CI), with the CAS registry number of 4468-52-4, is also known as Monodeuterioacetone. This chemical's molecular formula is C3H5DO and molecular weight is 59.0853. What's more, its IUPAC name is 1-Deuteriopropan-2-one.

Physical properties about 2-Propanone-1-d (9CI) are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.56; (8)ACD/KOC (pH 7.4): 19.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.345; (14)Molar Refractivity: 15.97 cm3; (15)Molar Volume: 75.1 cm3; (16)Surface Tension: 18.8 dyne/cm; (17)Density: 0.786 g/cm3; (18)Enthalpy of Vaporization: 29.1 kJ/mol; (19)Boiling Point: 46.5 °C at 760 mmHg; (20)Vapour Pressure: 348 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]CC(=O)C
(2) InChI: InChI=1/C3H6O/c1-3(2)4/h1-2H3/i1D
(3) InChIKey: CSCPPACGZOOCGX-MICDWDOJEG

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 4468-52-4