2-Nanonone

Compound Structure:

Synonyms:

2-NONANONE;Nonan-2-one;821-55-6;Heptyl methyl ketone;Methyl heptyl ketone;beta-Nonanone;Ketone, heptyl methyl;METHYL N-HEPTYL KETONE;.beta.-Nonanone;Nonanone

Compound ID:

NMPC-271

PubChem ID:

13187

Molecular Formula:

C9H18O

Canonical SMILES:

CCCCCCCC(=O)C

InChIKey:

VKCYHJWLYTUGCC-UHFFFAOYSA-N

About the compound:

Methyl heptyl ketone, also known as nonan-2-one or 2-nonanone, is a colorless liquid compound. It is classified as a methyl ketone and is a derivative of nonane, where the methylene hydrogens at position 2 are replaced by an oxo (carbonyl) group. This compound is found in nature as a plant metabolite and has been identified in plants like Curcuma amada and Hedychium spicatum.

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (76.87%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	142.24 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	142.135765193 g/mol
Monoisotopic Mass	142.135765193 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	86.7
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	Methyl heptyl ketone is a colorless liquid. (USCG, 1999)
Boiling Point	377.6 °F at 743 mmHg (USCG, 1999)
Melting Point	-5.8 °F (USCG, 1999)
Density	0.832 (USCG, 1999)
Solubility	0.371 mg/mL at 25 °C
Vapor Pressure	1.6 mmHg (USCG, 1999)

Source: PubChem

Source Species:

Irvingia gabonensis.

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