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Compound Summary

General Compound Information

5-methyl-2-(E)-hepten-4-one (filbertone)

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Description

Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods .

Synonyms

5-Methyl-2-hepten-4-one; 81925-81-7; 5-methylhept-2-en-4-one; Filbertone; (+/-)-Filbertone;

(E)-5-methylhept-2-en-4-one;(E)-5-Methyl-2-hepten-4-one;102322-83-8;5-Methyl-(E)-2-hepten-4-one;FEMA No. 3761;(2E)-5-Methyl-2-hepten-4-one;5-Methyl-2-hepten-4-one [FHFI];(+/-)-5-Methyl-2-hepten-4-one;2-Hepten-4-one, 5-methyl-, (E)-;5-Methyl-2-hepten-4-one, (+/-)-;2-Hepten-4-one, 5-methyl-, (2E)-;8K2S58736F;filbertone,5-methyl-(E)-2-hepten-4-one;filbert heptenone;UNII-8K2S58736F;5-Methyl-2-hepten-4-one, predominantly trans;5-Methyl-2-heptene-4-one;Filbertone, (.+/-.)-;SCHEMBL310232;SCHEMBL310233;DTXSID401017670;MFCD00792509;AKOS015841109;AC-33764;AS-76135;Q5448299;5-Methyl-2-hepten-4-one, predominantly trans, 98%, FG;

FlavorDB ID

2980

PUBCHEM ID

Molecular Weight

126.2 Molecular Formula

C8H14O

Openeye Can Smiles

CCC(C)C(=O)C=CC

IUPAC Inchikey

ARJWAURHQDJJAC-GQCTYLIASA-N

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Food Additive Safety (OFAS)
5-METHYL-2-HEPTEN-4-ONE 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: 5-Methylhept-2-en-4-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

Reference value information of this compound is not available!

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA CEF	2012	2165	Ambiguous
EFSA FAF	2019	3259	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2165	Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 monounsaturated, aliphatic, alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2012.2992	12Dec2012
3259	Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19	doi:10.2903/j.efsa.2019.5750	17Jul2019

Receptors

Receptor information of this compound is not available!

GC-MS Consensus Spectra

GC-MS Consensus Spectra information of this compound is not available!

Content

Compound Summary

5-methyl-2-(E)-hepten-4-one (filbertone)

Description

Synonyms

5-Methyl-2-hepten-4-one; 81925-81-7; 5-methylhept-2-en-4-one; Filbertone; (+/-)-Filbertone;

FlavorDB ID

2980

PUBCHEM ID

5362588

Molecular Weight

126.2

Molecular Formula

C8H14O

Openeye Can Smiles

CCC(C)C(=O)C=CC

IUPAC Inchikey

ARJWAURHQDJJAC-GQCTYLIASA-N

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Similarity

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Content

Compound Summary

5-methyl-2-(E)-hepten-4-one (filbertone)

Description

Synonyms

5-Methyl-2-hepten-4-one; 81925-81-7; 5-methylhept-2-en-4-one; Filbertone; (+/-)-Filbertone;

FlavorDB ID

2980

PUBCHEM ID

5362588

Molecular Weight

126.2

Molecular Formula

C8H14O

Openeye Can Smiles

CCC(C)C(=O)C=CC

IUPAC Inchikey

ARJWAURHQDJJAC-GQCTYLIASA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

OpenFoodTox: component 5-Methylhept-2-en-4-one