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Compound Summary

General Compound Information

2-nonanone

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Description

Nonan-2-one is a methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a nonane.

Synonyms

2-NONANONE; Nonan-2-one; 821-55-6; Heptyl methyl ketone; Methyl heptyl ketone;

beta-Nonanone;Ketone, heptyl methyl;METHYL N-HEPTYL KETONE;FEMA No. 2785;.beta.-Nonanone;NSC 14760;n-C7H15COCH3;ZE5K73YN2Z;DTXSID2022125;CHEBI:77927;NSC-14760;Methyl heptyl ketone; Methyl n-heptyl ketone; NSC 14760;2-Nonanone (natural);Nonanone;EINECS 212-480-0;UNII-ZE5K73YN2Z;BRN 1743645;Heptylmethylketone;methylheptyl ketone;MFCD00009553;NONANONE-2;2-NONANONE [FCC];2-Nonanone, >=99%;2-NONANONE [FHFI];SCHEMBL103970;SCHEMBL626185;DTXCID002125;SCHEMBL4089642;WLN: 7V1;2-Nonanone, analytical standard;CHEMBL2228473;NSC14760;ZINC1653216;Tox21_303845;BBL011435;LMFA12000052;STL146543;2-Nonanone, >=99%, FCC, FG;AKOS005720803;NCGC00357115-01;AS-10570;CAS-821-55-6;2-Nonanone, natural, >=97%, FCC, FG;FT-0658401;N0293;EN300-19772;A840259;Q15726063;

FlavorDB ID

2484

PUBCHEM ID

Molecular Weight

142.24 Molecular Formula

C9H18O

Openeye Can Smiles

CCCCCCCC(=O)C

IUPAC Inchikey

VKCYHJWLYTUGCC-UHFFFAOYSA-N

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Similarity

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
2-NONANONE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Nonan-2-one

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2700	MSI/FC	=	0.3	mg/kg	Pigs
2700	MSI/FC	=	0.3	mg/kg	Poultry
2700	MSI/FC	=	0.5	mg/kg	Animal not used for food production - unspecified
2700	MSI/FC	=	0.5	mg/kg	Aquatic animal not used for food production - unspecified
2700	MSI/FC	=	0.5	mg/kg	Cattle
2700	MSI/FC	=	0.5	mg/kg	Salmons

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA FEEDAP	2015	2700	Ambiguous

EFSA Outputs

Output ID	Title	DOI	Published
2700	Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species	doi:10.2903/j.efsa.2015.4268	10Nov2015

Receptors

Receptor	REFERENCE	EC50 [µM]
OR11H7P	details	Activated
OR1G1	details	Activated
OR2J2	details	Activated
OR2J3	details	Activated
OR2W1	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

2-nonanone

Description

Nonan-2-one is a methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a nonane.

Synonyms

2-NONANONE; Nonan-2-one; 821-55-6; Heptyl methyl ketone; Methyl heptyl ketone;

FlavorDB ID

2484

PUBCHEM ID

13187

Molecular Weight

142.24

Molecular Formula

C9H18O

Openeye Can Smiles

CCCCCCCC(=O)C

IUPAC Inchikey

VKCYHJWLYTUGCC-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

2-nonanone

Description

Nonan-2-one is a methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a nonane.

Synonyms

2-NONANONE; Nonan-2-one; 821-55-6; Heptyl methyl ketone; Methyl heptyl ketone;

FlavorDB ID

2484

PUBCHEM ID

13187

Molecular Weight

142.24

Molecular Formula

C9H18O

Openeye Can Smiles

CCCCCCCC(=O)C

IUPAC Inchikey

VKCYHJWLYTUGCC-UHFFFAOYSA-N

Network

Shown in network

Similarity

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OpenFoodTox: component Nonan-2-one

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

GC-MS Spectrum