6,10-Dimethylundecan-2-one

Compound Structure:

Synonyms:

6,10-Dimethylundecan-2-one;Hexahydropseudoionone;2-Undecanone, 6,10-dimethyl-;1604-34-8;6,10-Dimethyl-2-undecanone;Tetrahydrogeranylacetone;Pseudoionone, hexahydro-;NSC-15338;91TGG00357;UNII-91TGG00357

Compound ID:

NMPC-457

PubChem ID:

95495

Molecular Formula:

C13H26O

Canonical SMILES:

CC(C)CCCC(C)CCCC(=O)C

InChIKey:

RBGLEUBCAJNCTR-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H319 (97.62%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H400 (92.86%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (92.86%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	198.34 g/mol
XLogP3-AA	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	198.198365449 g/mol
Monoisotopic Mass	198.198365449 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	149
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	Viscous liquid; [Sigma-Aldrich MSDS]

Source: PubChem

Source Species:

Bryophyllum pinnatum
Ficus asperifolia
Hyparrhenia rufa

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