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

5-methyl-5-hexen-2-one
5-hexen-2-one, 5-methyl-

Supplier Sponsors

Name:5-methylhex-5-en-2-one
CAS Number: 3240-09-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-807-6
FDA UNII:6OVV4Q22O6
Nikkaji Web:J262.347A
MDL:MFCD00014995
CoE Number:11150
XlogP3-AA:1.60 (est)
Molecular Weight:112.17184000
Formula:C7 H12 O
NMR Predictor:Predict (works with chrome or firefox)
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
JECFA Food Flavoring:1119 5-methyl-5-hexen-2-one
FLAVIS Number:07.100 (Old)
DG SANTE Food Flavourings:07.100 5-methylhex-5-en-2-one
FEMA Number:3365 5-methyl-5-hexen-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 5-METHYL-5-HEXEN-2-ONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 to 0.86800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.223
Refractive Index:1.42800 to 1.43300 @ 20.00 °C.
Boiling Point: 148.00 to 149.00 °C. @ 760.00 mm Hg
Vapor Pressure:4.453000 mm/Hg @ 25.00 °C. (est)
Flash Point: 108.00 °F. TCC ( 42.22 °C. )
logP (o/w): 1.439 (est)
Soluble in:
 alcohol
 water, 4177 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:1 hour(s) at 100.00 %
green weedy foliage vegetable
Odor Description:at 10.00 % in dipropylene glycol. green weedy foliage vegetable
Luebke, William tgsc, (2007)
Odor sample from: Sigma-Aldrich, Inc.: Aldrich
Flavor Type: ethereal
ethereal fruity tropical green banana vegetable
Taste Description: ethereal fruity tropical green banana vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
5-Methyl-5-hexen-2-one
Parchem
5-methyl-5-hexen-2-one
Penta International
5-METHYL-5-HEXEN-2-ONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
5-Methyl-5-hexen-2-one
Sigma-Aldrich: Aldrich
For experimental / research use only.
5-Methyl-5-hexen-2-one 99%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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
Recommendation for 5-methyl-5-hexen-2-one usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (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: -0.75000
beverages(nonalcoholic): -0.12000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.25000
fruit ices: -0.25000
gelatins / puddings: -0.25000
granulated sugar: --
gravies: --
hard candy: -0.40000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.12000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

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)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
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

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
EPA Substance Registry Services (TSCA):3240-09-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :228604
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:2
5-methylhex-5-en-2-one
Chemidplus:0003240093
 
References:
 5-methylhex-5-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3240-09-3
Pubchem (cid):228604
Pubchem (sid):135263339
 
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):HMDB31551
FooDB:FDB008163
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
aldehydic
green hexanal
FL/FR
balsamic
abies alba needle oil
FL/FR
iso
amyl benzoate
FL/FR
hemlock western oil (tsuga heterophylla) canada
FR
linalyl cinnamate
FL/FR
phenethyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
spruce needle absolute
FL/FR
chemical
propyl propionate
FL/FR
earthy
methyl 3-hexenoate
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
methyl acetate
FL/FR
floral
cassie absolute
FL/FR
cassie concrete
FR
black
currant bud concrete
FL/FR
cyclamen aldehyde
FL/FR
farnesol
FL/FR
gardenia oxide
FR
geranium oil africa
FL/FR
geranyl propionate
FL/FR
lilac pentanol
FL/FR
(Z)-beta-
ocimene
FL/FR
beta-
ocimene
FL/FR
phenethyl butyrate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
4-
phenyl-2-butanol
FL/FR
rhodinyl isobutyrate
FL/FR
styralyl propionate
FL/FR
fruity
allyl butyrate
FL/FR
iso
amyl acetate
FL/FR
benzyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
cyclohexyl propionate
FL/FR
ethyl hexanoate
FL/FR
ethyl isobutyrate
FL/FR
ethyl propionate
FL/FR
(E)-
ethyl tiglate
FL/FR
heliotropyl isobutyrate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl isobutyrate
FL/FR
methyl propionate
FL/FR
2-
nonanone
FL/FR
propyl acetate
FL/FR
propyl hexanoate
FL/FR
tropical thiazole
FL/FR
green
benzhydrol
FR
homo
cuminic aldehyde
FR
galbanum resinoid
FL/FR
iso
green methanoindene
FR
green note propionate
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
4-
hexenol
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
hexyl heptanoate
FL/FR
hexyl hexanoate
FL/FR
hexyl phenyl acetate
FL/FR
hyacinth absolute
FL/FR
hyacinth butanal
FR
english
ivy leaf absolute
FR
leafy oxime
FR
marigold pot absolute
FL/FR
methyl octine carbonate
FL/FR
nerol oxide
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
phenethyl isopropyl ether
FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl quinoline
FR
terpinyl propionate
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
geranium concrete
FL/FR
herbal ketone
FR
linalyl octanoate
FL/FR
2-
pentyl acetate
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
mossy
oakmoss concrete
FR
spicy
myrcene
FR
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
3-(
methyl thio) hexanol
FL/FR
passiflora acetate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
passiflora edulis fruit extract
FL/FR
psidium guajava fruit extract
FL/FR
waxy
ethyl nonanoate
FL/FR
heptyl octanoate
FL/FR
For Flavor
No flavor group found for these
2-
ethyl-4,5-dimethyl oxazole
FL
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-4-
hexenal
FL
hexyl heptanoate
FL/FR
hyacinth absolute
FL/FR
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
(R)-2-
phenyl propyl alcohol
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
2-iso
propyl-3-(methyl thio) pyrazine
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
balsamic
phenethyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
spruce needle absolute
FL/FR
cheesy
2-
nonanone
FL/FR
citrus
styralyl propionate
FL/FR
dairy
2-
pentyl acetate
FL/FR
estery
propyl acetate
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
ethyl acetate
FL/FR
ethyl isobutyrate
FL/FR
4-
hexen-3-one
FL
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
fatty
2-
octen-1-ol
FL/FR
floral
farnesol
FL/FR
geranium oil africa
FL/FR
4-
phenyl-2-butanol
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
iso
amyl acetate
FL/FR
iso
amyl benzoate
FL/FR
benzyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
black
currant bud concrete
FL/FR
cyclohexyl propionate
FL/FR
ethyl hexanoate
FL/FR
ethyl propionate
FL/FR
(E)-
ethyl tiglate
FL/FR
tropical
fruit flavor
FL
furfuryl propionate
FL
heliotropyl isobutyrate
FL/FR
2,4-
hexadien-1-ol
FL
hexyl hexanoate
FL/FR
hexyl phenyl acetate
FL/FR
kiwi flavor
FL
lilac pentanol
FL/FR
linalyl cinnamate
FL/FR
linalyl octanoate
FL/FR
lychee flavor
FL
2-
mercapto-4-heptanol
FL
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-hexenoate
FL/FR
methyl propionate
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
papaya guava flavor
FL
passion fruit distillates
FL
phenethyl butyrate
FL/FR
propyl hexanoate
FL/FR
green
allyl butyrate
FL/FR
cyclamen aldehyde
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
cis-
galbanum oxathiane
FL/FR
galbanum resinoid
FL/FR
green note propionate
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
marigold pot absolute
FL/FR
methyl octine carbonate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
nerol oxide
FL/FR
beta-
ocimene
FL/FR
(Z)-beta-
ocimene
FL/FR
2,4-
octadienal
FL
1-
penten-3-ol
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
terpinyl propionate
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
geranium concrete
FL/FR
green hexanal
FL/FR
juicy
lychee mercaptan acetate
FL/FR
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
pungent
acetaldehyde
FL
rummy
ethyl pyruvate
FL/FR
spicy
cassie absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
methyl benzyl disulfide
FL
terpenic
abies alba needle oil
FL/FR
gamma-
terpinene
FL/FR
tropical
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
propyl propionate
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
vegetable
alpha-
benzylidene methional
FL
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
heptyl octanoate
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FRbalsam
FRcitrus
FLfat
FRgreen
FRherbal
FRtangerine
 
Occurrence (nature, food, other):note
 hazelnut
Search Trop Picture
 pluchea arabica
Search Trop Picture
 
Synonyms:
5-hexen-2-one, 5-methyl-
5-methyl hex-5-en-2-one
5-methylhex-5-en-2-one
 

Articles:

 None found yet.
 
Notes:
Flavouring ingredient
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