2-Decanone

2-Decanone
Compound Structure:
Synonyms: 2-Decanone;Decan-2-one;693-54-9;METHYL OCTYL KETONE;Methyl n-octyl ketone;Octyl methyl ketone;n-C8H17COCH3;MFCD00009571
Compound ID: NMPC-225
PubChem ID:

12741

Molecular Formula: C10H20O
Canonical SMILES: CCCCCCCCC(=O)C
InChIKey: ZAJNGDIORYACQU-UHFFFAOYSA-N
About the compound:

Decan-2-one, also known as 2-decanone, is a methyl ketone. It is derived from decane by replacing the methylene hydrogens at position 2 with an oxo (carbonyl) group. Decan-2-one is considered a plant metabolite, which means it can be found in various plant species and plays a role in their metabolism.2-Decanone is a natural product that  has been identified in plants like Cichorium endivia and Curcuma aeruginosa, as you mentioned. It contributes to the complex mixture of compounds found in these plants. The specific biological roles and potential uses of 2-decanone can vary depending on the plant species and its chemical composition. It is likely involved in various physiological processes within the plant, and its presence may also influence the aroma or flavor of the plant. In addition to its role in plants, compounds like 2-decanone are of interest in organic chemistry and can be used as chemical intermediates or synthetic building blocks for the preparation of more complex molecules.

GHS Hazard Statements

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

156.26 g/mol

XLogP3

3.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

7

Exact Mass

156.151415257 g/mol

Monoisotopic Mass

156.151415257 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

97

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless liquid; [MSDSonline]

Boiling Point

210.00 °C. @ 760.00 mm Hg

Melting Point

14 °C

Solubility 

0.0768 mg/mL at 25 °C

Vapor Pressure

0.821-0.831 (20°)

Source: PubChem

Source Species: Mariscus alternifolius
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