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2-pentyl-1-buten-3-one

Chemical Structure

General Material Information

Preferred name 2-pentyl-1-buten-3-one
Trivial Name 3-Methylene-2-octanone
Short Description 3-methylene-2-octanone
Formula C9 H16 O
CAS Number 63759-55-7
FEMA Number 3725
ECHA Number 264-448-0
FDA UNII U0DN158008
Nikkaji Number J286.550E
xLogP3-AA 3.00 (est)
NMR Predictor External link
JECFA Food Flavoring 1149 2-pentyl-1-buten-3-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 63759-55-7 ; 2-PENTYL-1-BUTEN-3-ONE
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
  • 3-methylideneoctan-2-one
  • 2-Octanone, 3-methylene-
  • 3-Methylene-2-octanone
  • 3-Pentyl-3-buten-2-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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):HMDB37170
FooDB:FDB016166
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.2257232666
Specific gravity @ 25 °C
Pounds per Gallon 6.723 to 6.773
Refractive Index 1.437 to 1.442 @ 20 °C
Boiling Point 197 to 198°C @ 760 mm Hg
Vapor Pressure 0.361 mmHg @ 25 °C
Flash Point TCC Value 71.11 °C TCC
logP (o/w) 2.599 est
Solubility
alcohol Yes
water, 268.1 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fungal
musty, mushroom, fungal
General comment At 10.00 % in dipropylene glycol. musty mushroom

Potential Uses

Applications
Flavoring purposes Mushroom

Safety Information

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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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