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

2-pentyl-1-buten-3-one
3-methylene-2-octanone

Supplier Sponsors

Name:3-methylideneoctan-2-one
CAS Number: 63759-55-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:264-448-0
FDA UNII:U0DN158008
Nikkaji Web:J286.550E
XlogP3-AA:3.00 (est)
Molecular Weight:140.22572000
Formula:C9 H16 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:1149 2-pentyl-1-buten-3-one
FEMA Number:3725 2-pentyl-1-buten-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-PENTYL-1-BUTEN-3-ONE
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.80800 to 0.81400 @ 25.00 °C.
Pounds per Gallon - (est).: 6.723 to 6.773
Refractive Index:1.43700 to 1.44200 @ 20.00 °C.
Boiling Point: 81.00 °C. @ 31.00 mm Hg
Boiling Point: 197.00 to 198.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.361000 mm/Hg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 2.599 (est)
Soluble in:
 alcohol
 water, 268.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fungal
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
musty mushroom fungal
Odor Description:at 10.00 % in dipropylene glycol. musty mushroom
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
2-Octanone,3-methylene-
BOC Sciences
For experimental / research use only.
3-Methyleneoctan-2-one
Parchem
2-pentyl-1-buten-3-one
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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: flavoring agents
Recommendation for 2-pentyl-1-buten-3-one usage levels up to:
 not for fragrance use.
 
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: 13
 average usual ppmaverage maximum ppm
baked goods: -0.01000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: -0.01000
chewing gum: --
condiments / relishes: -0.00500
confectionery froastings: --
egg products: -0.01000
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.01000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: -0.01000
seasonings / flavors: -0.10000
snack foods: --
soft candy: -0.01000
soups: -0.01000
sugar substitutes: --
sweet sauces: --
 
Safety References:
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

EPI System: View
EPA Substance Registry Services (TSCA):63759-55-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62218
National Institute of Allergy and Infectious Diseases:Data
3-methylideneoctan-2-one
Chemidplus:0063759557
 
References:
 3-methylideneoctan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:63759-55-7
Pubchem (cid):62218
Pubchem (sid):135019841
 
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):HMDB37170
FooDB:FDB016166
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
dehydrolinalool
FL/FR
balsamic
balsamic
(E)-
benzyl tiglate
FL/FR
creamy
butyl lactate
FL/FR
earthy
dibenzyl ether
FL/FR
2-
ethyl fenchol
FL/FR
geosmin
FL/FR
geosmin
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
methyl undecylenate
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-one
FL/FR
2-
octyl acetate
FL/FR
fatty
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
3-
decanol
FL/FR
nonyl octanoate
FL/FR
octyl acetate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
fruity
octyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
hydroxymethyl hexyl ethyl ketone
FL/FR
methyl 2-furoate
FL/FR
green
earthy acetal
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
3-
octanone
FL/FR
honey
phenethyl furoate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
waxy
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
3-
decanol
FL/FR
dehydrolinalool
FL/FR
earthy acetal
FL/FR
geosmin
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
hydroxymethyl hexyl ethyl ketone
FL/FR
tris(
methyl thio) methane
FL
nonyl octanoate
FL/FR
2-
octyl acetate
FL/FR
(E)-2-
penten-1-ol
FL
phenethyl furoate
FL/FR
balsamic
balsamic
(E)-
benzyl tiglate
FL/FR
buttery
butyl laevo-lactate
FL/FR
caramellic
methyl 2-furoate
FL/FR
dairy
butyl lactate
FL/FR
earthy
1-
decen-3-ol
FL/FR
2-
ethyl fenchol
FL/FR
geosmin
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
estery
octyl propionate
FL/FR
fatty
dimethyl sulfoxide
FL
fermented
methyl thio isovalerate
FL
fruity
dibenzyl ether
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
mushroom
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
3-
octanol
FL/FR
sulfurous
1-(
methyl thio)-2-butanone
FL
2-
naphthyl mercaptan
FL
vegetable
2-
octen-4-one
FL/FR
waxy
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
methyl laurate
FL/FR
methyl undecylenate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
 
Potential Uses:
FLmushroom
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-methylene octan-2-one
3-methylene-2-octanone
3-methyleneoctan-2-one
3-methylidene octan-2-one
3-methylideneoctan-2-one
2-octanone, 3-methylene-
2-pentyl but-1-en-3-one
 

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Notes:
Flavouring ingredient
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