EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl heptadienone
6-methyl-3,5-heptadien-2-one

Sponsors

Flavor Demo Formulas
Name:6-methylhepta-3,5-dien-2-one
CAS Number: 1604-28-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-507-7
FDA UNII:P7CMP2E76C
Nikkaji Web:J195.217J
MDL:MFCD00043647
CoE Number:11143
XlogP3-AA:2.00 (est)
Molecular Weight:124.18284000
Formula:C8 H12 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(Z)-6-methyl-3,5-heptadien-2-one
 (E)-6-methyl-3,5-heptadien-2-one
EFSA/JECFA Comments:
Mixture of E/Z stereoisomers: 60-90 % (E) (EFFA, 2012c).
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1134 6-methyl-3,5-heptadien-2-one
FLAVIS Number:07.099 (Old)
DG SANTE Food Flavourings:07.099 6-methylhepta-3,5-dien-2-one
FEMA Number:3363 6-methyl-3,5-heptadien-2-one
FDA Mainterm: 6-METHYL-3,5-HEPTADIEN-2-ONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.89500 to 0.89900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.447 to 7.481
Refractive Index:1.52800 to 1.53700 @ 20.00 °C.
Boiling Point: 190.00 °C. @ 760.00 mm Hg
Boiling Point: 83.50 °C. @ 9.00 mm Hg
Vapor Pressure:0.464000 mm/Hg @ 25.00 °C. (est)
Flash Point: 177.00 °F. TCC ( 80.56 °C. )
logP (o/w): 1.679 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 1454 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
Substantivity:48 hour(s) at 100.00 %
cinnamon coconut spicy woody sweet weedy
Odor Description:at 1.00 % in dipropylene glycol. cinnamon coconut spice woody sweet weedy
Luebke, William tgsc, (1988)
Odor sample from: Givaudan Corporation
sweet green spicy cooling herbal
Odor Description:Sweet, green, spice-like with a cooling herbaceous nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Flavor Type: green
green sweet brown herbal
Taste Description: at 30.00 ppm. Green, sweet, with a brown herbal aftertaste
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Beijing Lys Chemicals
6-Methyl-3,5-heptadien-2-one
BOC Sciences
For experimental / research use only.
6-Methyl-3,5-heptadien-2-one
DeLong Chemicals America
6-Methyl-3,5-heptadien-2-one
Frinton Laboratories
For experimental / research use only.
6-Methyl-3,5-heptadien-2-one
M&U International
6-METHYL-3,5-HEPTADIEN-2-ONE, Kosher
Penta International
METHYL HEPTADIENONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
6-Methyl-3,5-heptadien-2-one 97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
6-Methyl-3,5-heptadien-2-one ≥96%
Synerzine
6-Methyl-3,5-heptadien-2-one
Vigon International
Methyl Heptadienone
Odor: SPICY-FLORAL AND WOODY
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.002 % (1)
Category 2:  0.002 %
Category 3:  0.002 %
Category 4:  0.002 %
Category 5:  0.002 %
Category 6:  0.100 % (1)
Category 7:  0.002 %
Category 8:  0.002 %
Category 9:  0.002 %
Category 10:  0.002 %
Category 11: See Note (2)
 Notes:
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

 
Maximised Survey-derived Daily Intakes (MSDI-EU): 13.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 5.00 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 6
 average usual ppmaverage maximum ppm
baked goods: -0.30000
beverages(nonalcoholic): -0.05000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: -0.10000
gelatins / puddings: -0.05000
granulated sugar: --
gravies: --
hard candy: -0.15000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.05000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.050000.05000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.100009.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 1.000004.50000
Bakery wares (07.0): 1.000004.50000
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.500002.00000
Foodstuffs intended for particular nutritional uses (13.0): 1.000004.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.050000.05000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA
View page or View pdf
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)
View page or View pdf
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
View page or View pdf
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
View page or View pdf
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
View page or View pdf
EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):1604-28-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5370101
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
6-methylhepta-3,5-dien-2-one
Chemidplus:0001604280
 
References:
 6-methylhepta-3,5-dien-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1604-28-0
Pubchem (cid):5370101
Pubchem (sid):135020864
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB31582
FooDB:FDB008208
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
amber naphthofuran
FL/FR
animal
methyl (E)-2-octenoate
FL/FR
anise
sweet
fennel seed oil
FL/FR
anisic
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
balsamic
laevo-
borneol
FL/FR
brachyleana hutchinsii wood oil
FR
(E)-
cinnamyl alcohol
FL/FR
cinnamyl alcohol
FL/FR
guaiyl acetate
FL/FR
3-
phenyl propyl acetate
FL/FR
2-
phenyl propyl alcohol
FL/FR
valerian rhizome absolute
FL/FR
bready
furfural
FL/FR
caramellic
maltyl propionate
FL/FR
5-
methyl furfural
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
2-
octanone
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
cassie absolute
FL/FR
citronella oil java
FR
geranium oil bourbon
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
beta-
ionone
FL/FR
2-
methyl naphthalene
FL/FR
bitter
orangeflower concrete morocco
FR
phenyl propyl phenyl acetate
FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose butanoate
FL/FR
fruity
iso
butyl 2-butenoate
FL/FR
iso
butyl isovalerate
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl 3-hexenoate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
menthyl isovalerate
FL/FR
neryl isobutyrate
FL/FR
prenyl acetate
FL/FR
green
carrot leaf oil (daucus carota ssp.maximus)
FR
iso
green methanoindene
FR
hexyl isobutyrate
FL/FR
phenethyl tiglate
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
herbal
anethum graveolens herb oil
FL/FR
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
clary sage absolute
FL/FR
coriander oleoresin
FL/FR
daucus carota fruit oil
FL/FR
dill weed oil reunion
FL/FR
delta-
elemene
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
lovage tincture
FL/FR
tea leaf absolute
FL/FR
thyme absolute
FL/FR
honey
methyl phenyl acetate
FL/FR
mentholic
iso
pulegyl acetate
FL/FR
musk
acetyl ethyl tetramethyl tetralin replacer
FR
musk decanolide
FR
musty
ketoiso
phorone
FL/FR
opoponax
opoponax resinoid replacer
FR
spicy
iso
butyl angelate
FL/FR
canella bark oil
FR
carrot weed oil
FL/FR
cassia bark concrete
FR
cassia bark oil china
FL/FR
cassia bark oleoresin
FL/FR
cassia leaf oil
FL/FR
(Z)-
cinnamaldehyde
FL/FR
(E)-
cinnamaldehyde
FL/FR
cinnamaldehyde
FL/FR
cinnamaldehyde / methyl anthranilate schiff's base
FR
cinnamaldehyde dimethyl acetal
FL/FR
cinnamaldehyde ethylene glycol acetal
FL/FR
cinnamon acrolein
FL/FR
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamon bark oil ceylon
FL/FR
cinnamyl nitrile
FR
(E)-
cinnamyl nitrile
FR
cumin seed absolute
FL/FR
black
currant bud absolute
FL/FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
ginger root absolute
FL/FR
grains of paradise oil
FL/FR
para-
methoxy-alpha-methyl cinnamaldehyde
FL/FR
ortho-
methoxycinnamaldehyde
FL/FR
para-
methoxycinnamaldehyde
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
para-
methyl cinnamaldehyde
FL/FR
alpha-
methyl-(E)-cinnamaldehyde
FL/FR
myrtenal
FL/FR
2-
octanol
FL/FR
sulfurous
lychee mercaptan acetate
FL/FR
woody
agarwood oil (aetoxylon sympetalum)
FR
cabreuva wood oil
FR
guaiacwood oil 20% in gurjun balsam oil
FR
gurjun balsam oil
FR
homalomena rubescens root oil
FR
sandalwood oil CO2 extract
FL/FR
spikenard oil CO2 extract
FL/FR
For Flavor
No flavor group found for these
(E)-
cinnamyl alcohol
FL/FR
(R)-gamma-
dodecalactone
FL/FR
delta-
elemene
FL/FR
2-
furfurylidene butyraldehyde
FL
grains of paradise oil
FL/FR
guaiyl acetate
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
para-
methoxy-alpha-methyl cinnamaldehyde
FL/FR
para-
methyl cinnamaldehyde
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
spikenard oil CO2 extract
FL/FR
alliaceous
alliaceous
truffle sulfide
FL
amber
amber naphthofuran
FL/FR
anise
sweet
fennel seed oil
FL/FR
balsamic
3-
phenyl propyl acetate
FL/FR
brown
furfural
FL/FR
5-
methyl furfural
FL/FR
camphoreous
laevo-
borneol
FL/FR
caramellic
maltyl propionate
FL/FR
cherry
para-
methoxycinnamaldehyde
FL/FR
citrus
ketoiso
phorone
FL/FR
creamy
dihydrocoumarin
FL
dairy
2-
octanone
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
geranium oil bourbon
FL/FR
methyl phenyl acetate
FL/FR
fruity
ethyl 3-hexenoate
FL/FR
ethyl 3-oxohexanoate
FL
(E,E)-
ethyl sorbate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
menthyl isovalerate
FL/FR
methyl (E)-2-octenoate
FL/FR
(E,E)-
methyl sorbate
FL
neryl isobutyrate
FL/FR
prenyl acetate
FL/FR
rose butanoate
FL/FR
valerian rhizome absolute
FL/FR
green
iso
butyl 2-butenoate
FL/FR
iso
butyl angelate
FL/FR
iso
butyl isovalerate
FL/FR
carrot weed oil
FL/FR
cinnamyl alcohol
FL/FR
clary sage absolute
FL/FR
coriander oleoresin
FL/FR
(E)-2-
heptenal
FL
(E,E)-2,4-
hexadienal
FL
(Z)-3-
hexen-1-yl salicylate
FL/FR
hexyl isobutyrate
FL/FR
phenethyl tiglate
FL/FR
2-
phenyl propyl alcohol
FL/FR
iso
phorone
FL
rose leaf absolute (rosa centifolia)
FL/FR
herbal
anethum graveolens herb oil
FL/FR
daucus carota fruit oil
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
lovage tincture
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
thyme absolute
FL/FR
juicy
lychee mercaptan acetate
FL/FR
minty
(1R)-(-)-
myrtenal
FL
myrtenal
FL/FR
mushroom
methional diethyl acetal
FL
oily
2-
methyl naphthalene
FL/FR
smoky
dextro-
xylose
FL
spicy
benzylidene acetone
FL
cassia bark oil china
FL/FR
cassia bark oleoresin
FL/FR
cassia leaf oil
FL/FR
cassie absolute
FL/FR
(E)-
cinnamaldehyde
FL/FR
(Z)-
cinnamaldehyde
FL/FR
cinnamaldehyde
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
cinnamaldehyde ethylene glycol acetal
FL/FR
cinnamon acrolein
FL/FR
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamon bark oil ceylon
FL/FR
cumin seed absolute
FL/FR
black
currant bud absolute
FL/FR
ginger root absolute
FL/FR
ortho-
methoxycinnamaldehyde
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
alpha-
methyl-(E)-cinnamaldehyde
FL/FR
2-
octanol
FL/FR
sweet
acetone alcohol
FL
agave flavor
FL
caramel dione
FL
tea
tea leaf absolute
FL/FR
woody
beta-
ionone
FL/FR
iso
pulegyl acetate
FL/FR
sandalwood oil CO2 extract
FL/FR
 
Potential Uses:
FRcinnamon
FRcoconut
 melon watermelon muskmelon cantaloupe
FRspice
FLtea herbal
 
Occurrence (nature, food, other):note
 filbert roasted filbert
Search Trop Picture
 grape
Search Trop Picture
 lavandin
Search PMC Picture
 lavender oil spike france @ trace%
Data GC Search Trop Picture
 lemon balm
Search Trop Picture
 lemon verbena oil turkey @ 0.08%
Data GC Search Trop Picture
 licorice
Search Trop Picture
 pea green pea
Search PMC Picture
 rice bran
Search Trop Picture
 tea green tea
Search Trop Picture
 tomato
Search Trop Picture
 wormwood leaf oil america @ 0.71-0.94%
Data GC Search Trop Picture
 
Synonyms:
3,5-heptadien-2-one, 6-methyl-
2-methyl hepta-2,4-dien-6-one
6-methyl hepta-3,5-dien-2-one
6-methyl-3,5-heptadien-2-one
6-methyl-3,5-heptadiene-2-one
2-methylhepta-2,4-dien-6-one
6-methylhepta-3,5-dien-2-one
 
 
Notes:
Flavouring ingredient. Isol. from lavender oil (Lavendula officinalis hybrid)
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