5-methyl-5-hexen-2-one
5-hexen-2-one, 5-methyl-
 
Notes:
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      3240-09-3 5-Methyl-5-hexen-2-one
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-51210 5-METHYL-5-HEXEN-2-ONE
       
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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 (SATF):3240-09-3 ; 5-METHYL-5-HEXEN-2-ONE
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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 mmHg @ 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
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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)
 
 
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).
 
 
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Cosmetic Information:
None found
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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
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%
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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
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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
Click here to view publication 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: --
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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
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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
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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 Substances Added to Food (formerly 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
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Potential Blenders and core components note
 
For Odor
acidic
acidic
2-ethyl butyric acidFL/FR
aldehydic
 green hexanalFL/FR
balsamic
 abies alba needle oilFL/FR
isoamyl benzoateFL/FR
 hemlock western oil (tsuga heterophylla) canadaFR
 linalyl cinnamateFL/FR
 phenethyl cinnamateFL/FR
isopropyl cinnamateFL/FR
 spruce needle absoluteFL/FR
chemical
 propyl propionateFL/FR
citrus
 citronella oil javaFR
 citronella oil java replacerFR
 heptyl phenyl acetate 
earthy
 methyl 3-hexenoateFL/FR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
 acetaldehyde dimethyl acetalFL/FR
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
 methyl acetateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
floral
 cassie absoluteFL/FR
 cassie concreteFR
 cassie perfume baseFR
black currant bud concreteFL/FR
 cyclamen aldehydeFL/FR
 farnesolFL/FR
 gardenia oxideFR
 gelsone (IFF)FL/FR
 geranium oil africaFL/FR
 geranyl acetoneFL/FR
 geranyl propionateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 lilac pentanolFL/FR
cis-muguet shiseolFL/FR
(Z)-beta-ocimeneFL/FR
beta-ocimeneFL/FR
 phenethyl butyrateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
4-phenyl-2-butanolFL/FR
 rhodinyl isobutyrateFL/FR
 styralyl propionateFL/FR
fruity
 allyl 2-ethyl butyrateFL/FR
 allyl butyrateFL/FR
isoamyl acetateFL/FR
 apple ketalFL/FR
 benzyl butyrateFL/FR
 benzyl methyl etherFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
 cyclohexyl propionateFL/FR
 ethyl (Z)-4-heptenoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isobutyrateFL/FR
 ethyl propionateFL/FR
(E)-ethyl tiglateFL/FR
 heliotropyl isobutyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
 methyl 2-methyl butyrateFL/FR
 methyl isobutyrateFL/FR
 methyl propionateFL/FR
2-nonanoneFL/FR
 propyl acetateFL/FR
 propyl hexanoateFL/FR
 strawberry furanone butyrateFL/FR
 tropical thiazoleFL/FR
 vanilla carboxylateFL/FR
green
 benzhydrolFR
homocuminic aldehydeFR
 galbanum resinoidFL/FR
isogreen methanoindeneFR
 green note propionateFL/FR
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
4-hexenolFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
 hexyl heptanoateFL/FR
 hexyl hexanoateFL/FR
 hexyl phenyl acetateFL/FR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
english ivy leaf absoluteFR
 leafy oximeFR
 marigold pot absoluteFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl octine carbonateFL/FR
 nerol oxideFL/FR
2-octen-1-olFL/FR
1-penten-3-olFL/FR
 phenethyl isopropyl etherFR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl quinolineFR
 terpinyl propionateFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
 geranium concreteFL/FR
 herbal ketoneFR
 linalyl octanoateFL/FR
 mistletoe absolute 
2-pentyl acetateFL/FR
melon
(Z)-6-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
minty
isopropyl tiglateFL/FR
mossy
 oakmoss concreteFR
oily
 petal pyranoneFL/FR
soapy
 benzyl laurateFL/FR
spicy
 myrceneFR
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
4-methoxy-2-methyl butane thiolFL/FR
3-(methyl thio) hexanolFL/FR
 passiflora acetateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
cis-galbanum oxathianeFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 passiflora edulis fruit extractFL/FR
 psidium guajava fruit extractFL/FR
waxy
isoamyl decanoateFL/FR
 ethyl nonanoateFL/FR
 heptyl octanoateFL/FR
woody
 sabineneFL/FR
 
For Flavor
 
No flavor group found for these
2-ethyl-4,5-dimethyl oxazoleFL
 heptyl phenyl acetate 
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-4-hexenalFL
 hexyl heptanoateFL/FR
 hyacinth absoluteFL/FR
2-methyl thiazoleFL
4-(methyl thio) butanolFL
 mistletoe absolute 
(R)-2-phenyl propyl alcoholFL/FR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
2-isopropyl-3-(methyl thio) pyrazineFL
acidic
2-ethyl butyric acidFL/FR
alliaceous
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
balsamic
 phenethyl cinnamateFL/FR
isopropyl cinnamateFL/FR
 spruce needle absoluteFL/FR
berry
 berry colada flavorFL
 berry flavorFL
wild blackberry flavorFL
 blueberry flavorFL
wild blueberry flavorFL
bubble gum
 bubble gum flavorFL
2-nonanoneFL/FR
 styralyl propionateFL/FR
dairy
2-pentyl acetateFL/FR
estery
 propyl acetateFL/FR
ethereal
 acetaldehyde dimethyl acetalFL/FR
 allyl 2-ethyl butyrateFL/FR
 benzyl laurateFL/FR
 ethyl acetateFL/FR
 ethyl isobutyrateFL/FR
4-hexen-3-oneFL
 methyl acetateFL/FR
 methyl isobutyrateFL/FR
fatty
2-octen-1-olFL/FR
floral
 farnesolFL/FR
 geranium oil africaFL/FR
 geranyl acetoneFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 jasmin flavorFL
cis-muguet shiseolFL/FR
4-phenyl-2-butanolFL/FR
 rhodinyl isobutyrateFL/FR
fruity
bitter almond flavorFL
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
 apple ketalFL/FR
 apple pear flavorFL
 apricot banana flavorFL
 apricot berry flavorFL
 apricot papaya flavorFL
 banana concentrateFL
 banana distillatesFL
 banana flavorFL
 benzyl butyrateFL/FR
 benzyl methyl etherFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
wild cherry flavorFL
 cherry pineapple flavorFL
black currant bud concreteFL/FR
 cyclohexyl propionateFL/FR
 dragon fruit distillatesFL
 dragon fruit flavorFL
 ethyl (Z)-4-heptenoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl propionateFL/FR
(E)-ethyl tiglateFL/FR
tropical fruit flavorFL
 fruit flavorFL
 furfuryl propionateFL
 heliotropyl isobutyrateFL/FR
2,4-hexadien-1-olFL
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl hexanoateFL/FR
 hexyl phenyl acetateFL/FR
 kiwi flavorFL
 lilac pentanolFL/FR
 linalyl cinnamateFL/FR
 linalyl octanoateFL/FR
 lychee flavorFL
2-mercapto-4-heptanolFL
3-mercaptohexyl hexanoateFL
 methyl 2-methyl butyrateFL/FR
 methyl 3-hexenoateFL/FR
 methyl propionateFL/FR
(methyl thio) methyl hexanoateFL
(Z)-3-nonen-1-yl acetateFL
 papaya guava flavorFL
 passion fruit distillatesFL
 phenethyl butyrateFL/FR
 propyl hexanoateFL/FR
 strawberry furanone butyrateFL/FR
 tropicolada flavorFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla carboxylateFL/FR
green
 allyl butyrateFL/FR
 cyclamen aldehydeFL/FR
 dihydroxyacetophenone (mixed isomers)FL
cis-galbanum oxathianeFL/FR
 galbanum resinoidFL/FR
 gelsone (IFF)FL/FR
 green note propionateFL/FR
(Z)-4-heptenalFL/FR
(E)-2-heptenalFL
(Z)-3-hexen-1-olFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 marigold pot absoluteFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl octine carbonateFL/FR
3-(5-methyl-2-furyl) butanalFL
 nerol oxideFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-beta-ocimeneFL/FR
beta-ocimeneFL/FR
2,4-octadienalFL
1-penten-3-olFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
 terpinyl propionateFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
 geranium concreteFL/FR
 green hexanalFL/FR
juicy
 lychee mercaptan acetateFL/FR
metallic
4-hexenolFL/FR
3-(methyl thio) hexanolFL/FR
oily
 petal pyranoneFL/FR
pungent
 acetaldehydeFL
rummy
 ethyl pyruvateFL/FR
spicy
 cassie absoluteFL/FR
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
4-methoxy-2-methyl butane thiolFL/FR
 methyl benzyl disulfideFL
tart
 yumberry flavorFL
terpenic
 abies alba needle oilFL/FR
gamma-terpineneFL/FR
tropical
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 propyl propionateFL/FR
 psidium guajava fruitFL
 psidium guajava fruit extractFL/FR
vegetable
alpha-benzylidene methionalFL
waxy
isoamyl decanoateFL/FR
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 heptyl octanoateFL/FR
(Z)-6-nonen-1-olFL/FR
 sabineneFL/FR
 
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Potential Uses:
 balsamFR
 citrusFR
 fatFL
 greenFR
 herbalFR
 tangerineFR
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Occurrence (nature, food, other): note
 hazelnut
Search Trop  Picture
 pluchea arabica
Search Trop  Picture
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Synonyms:
5-hexen-2-one, 5-methyl-
5-methyl hex-5-en-2-one
5-methylhex-5-en-2-one
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Articles:
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