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Compound Summary

General Compound Information

6-methyl-5-hepten-2-one

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Description

Sulcatone is a heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. It has a role as an alarm pheromone, a volatile oil component and a plant metabolite. It is a methyl ketone and a heptenone.

Synonyms

6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; 2-Methyl-2-hepten-6-one;

5-HEPTEN-2-ONE, 6-METHYL-;METHYL HEPTENONE;6-Methyl-5-heptene-2-one;2-Oxo-6-methylhept-5-ene;Heptenone, methyl-;2-Methyl-6-oxo-2-heptene;prenylacetone;FEMA No. 2707;NSC 15294;6-methyl-hept-5-en-2-one;6-Methyl hept-5-en-2-one;6-methylheptan-5-ene-2-one;DTXSID5021629;CHEBI:16310;NSC66569;NSC-15294;448353S93V;DTXCID501629;CAS-110-93-0;EINECS 203-816-7;6-Methyl-5-hepten-2-one (natural);BRN 1741705;AI3-05639;UNII-448353S93V;MFCD00008905;LAUROYLCOENZYMEA;2-Methyl-6-heptenone;6-Methyl-hepten-2-one;6-methyl-5-hepten-2-on;EC 203-816-7;2-methylhept-2-en-6-one;2-methyl-hept-2-en-6-one;4-01-00-03493 (Beilstein Handbook Reference);CHEMBL46340;SCHEMBL157735;FEMA 2707;HSDB 5565;ZINC896810;2-METHYL-2-HEPTENE-6-ONE;6-METHYL-5-HEPTANE-2-ONE;6-Methyl-5-Hepten-2-One Natural;6-Methyl-5-hepten-2-one, 99%;NSC15294;EINECS 206-990-2;Tox21_201381;Tox21_302899;6-METHYL-5-HEPTEN-2-KETONE;BBL027733;LMFA12000039;NSC-66569;STK801685;2-METHYL-2-HEPTENE-6-KETONE;AKOS006034959;METHYL-5-HEPTEN-2-ONE, 6-;CS-W011151;FS-3837;HY-W010435;Sulcatone (6-Methylhept-5-en-2-one);NCGC00249039-01;NCGC00256420-01;NCGC00258932-01;6-METHYL--5-HEPTEN-2-ONE [FCC];6-METHYL-5-HEPTANE-2-ONE [FHFI];DB-040945;FT-0621226;FT-0628888;M0252;6-Methyl-5-hepten-2-one, analytical standard;EN300-96127;C07287;D77716;6-Methyl-5-hepten-2-one, >=98%, FCC, FG;6-Methyl-5-hepten-2-one, natural, >=98%, FCC;Q3209146;W-108682;6-Methyl-5-hepten-2-one, natural, >=98.0%, FCC;0VT;

FlavorDB ID

3338

PUBCHEM ID

Molecular Weight

126.2 Molecular Formula

C8H14O

Openeye Can Smiles

CC(=CCCC(=O)C)C

IUPAC Inchikey

UHEPJGULSIKKTP-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	fruity,esterlike, earthy		water	details
smell	fruity,esterlike, earthy	3.965e-1 µmol/L	water	details

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

Food Additive Safety (OFAS)
6-METHYL-5-HEPTEN-2-ONE is used for FLAVOR ENHANCER. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 6-Methylhept-5-en-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

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OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2144	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers
2219	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers
2250	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers
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
2903	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers

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Genotoxicity

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Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2250	Negative
EFSA CEF	2012	2144	Not determined
EFSA CEF	2013	2219	Not determined
EFSA CEF	2017	2903	Negative
EFSA FEEDAP	2015	2700	Not determined

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EFSA Outputs

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Output ID	Title	DOI	Published
2144	Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012). EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2012.2900	16Oct2012
2219	Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2013.3188	19Apr2013
2250	Flavouring Group Evaluation 63 (FGE.63) Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)	doi:10.2903/j.efsa.2008.706	07May2008
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
2903	Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4	doi:10.2903/j.efsa.2017.4662	26Jan2017

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Receptors

Receptor information of this compound is not available!

Consensus Spectra

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Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

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Content

Compound Summary

6-methyl-5-hepten-2-one

Description

Synonyms

6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; 2-Methyl-2-hepten-6-one;

FlavorDB ID

3338

PUBCHEM ID

9862

Molecular Weight

126.2

Molecular Formula

C8H14O

Openeye Can Smiles

CC(=CCCC(=O)C)C

IUPAC Inchikey

UHEPJGULSIKKTP-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

6-methyl-5-hepten-2-one

Description

Synonyms

6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; 2-Methyl-2-hepten-6-one;

FlavorDB ID

3338

PUBCHEM ID

9862

Molecular Weight

126.2

Molecular Formula

C8H14O

Openeye Can Smiles

CC(=CCCC(=O)C)C

IUPAC Inchikey

UHEPJGULSIKKTP-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

OpenFoodTox: component 6-Methylhept-5-en-2-one

GC-MS Spectrum