2H-Pyran-2-one, tetrahydro-6-nonyl-

Compound Structure:

Synonyms:

54725-16-5;2H-Inden-2-one, 1,4,5,6,7,7a-hexahydro-7a-methyl-, (S)-; 7a-Methyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one #;(7aS)-7a-Methyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one

Compound ID:

NMPC-249

PubChem ID:

520296

Molecular Formula:

C14H26O2

Canonical SMILES:

CCCCCCCCCC1CCCC(=O)O1

InChIKey:

SKQYTJLYRIFFCO-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 124 of 128 companies (only ~ 3.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	226.35 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	226.193280068 g/mol
Monoisotopic Mass	226.193280068 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	colourless to pale yellow liquid with a soft, creamy, musky butter-like odour
Boiling Point	130.00 to 135.00 °C. @ 5.00 mm Hg
Melting Point	14 °C
Density	0.932-0.969
Solubility	soluble in alcohol,vegetable oil and propylene glycol; insoluble in water

Source: PubChem

Source Species:

Senecio biafrae

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