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filbert heptenone

Chemical Structure

General Material Information

Preferred name filbert heptenone
Trivial Name 5-Methyl-2-hepten-4-one
Short Description 5-methylhept-2-en-4-one
Formula C8 H14 O
CAS Number 81925-81-7
FEMA Number 3761
Flavis Number 7.139
FDA UNII Search
MDL MFCD00792509
xLogP3-AA 2.20 (est)
NMR Predictor External link
JECFA Food Flavoring 1133 5-methyl-2-hepten-4-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 81925-81-7 ; 5-METHYL-2-HEPTEN-4-ONE
Synonyms
  • filbertone (Symrise)
  • filbertone 1% in TEC (Symrise)
  • filbertone G (Symrise)
  • hazelnut ketone
  • hazelnut ketone natural
  • hazeltone
  • hept-2-en-4-one, 5-methyl-
  • 2-hepten-4-one, 5-methyl-
  • 5 methyl 2 hepten 4 one (filbertone)
  • 5-methyl hept-2-en-4-one
  • 5-methyl-2-hept-4-one
  • 5-methyl-2-hepten-4-one
  • 5-methyl-2-hepten-4-one (1% in triacetin) natural
  • 5-methyl-2-hepten-4-one in 10% in ethanol
  • 5-methyl-2-hepten-4-one natural
  • 5-methyl-2-hepten-4-one natural 1% in ethanol
  • 5-methyl-2-hepten-4-one natural 1% in triacetin
  • 5-methyl-2-hepten-4-one natural 10% in ethanol
  • 5-methyl-2-hepten-4-one synthetic
  • 5-methylhept-2-en-4-one
  • 5-methylhept-2-en-4-one
  • 2-Hepten-4-one, 5-methyl-
  • 5-Methyl-2-hepten-4-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):Search
Export Tariff Code:2914.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.19877624512
Specific gravity @ 25 °C
Pounds per Gallon 7.031 to 7.089
Refractive Index 1.44 to 1.445 @ 20 °C
Boiling Point 170 to 173°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 1.247 mmHg @ 25 °C
Flash Point TCC Value 52.22 °C TCC
logP (o/w) 2.023 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 1208 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Nutty
raw, nut skin, pungent, ketonic, sweet, hazelnut, filbert, nutty, roasted, coffee
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 2 hour(s) at 100.00 %
Luebke, William tgsc, (2009) At 1.00 % in dipropylene glycol. raw nut skin myrcene ketonic sweet hazelnut filbert
Mosciano, Gerard P&F 18, No. 4, 51, (1993) Nutty, pungent, roasted, ketonic and coffee-like
Flavor Type: Nutty
nutty, roasted, coffee, cocoa, brown, earthy, meaty
Mosciano, Gerard P&F 18, No. 4, 51, (1993) At 1.00 ppm. Nutty, roasted, coffee, cocoa, brown with an earthy brown and meaty nuance
Useful in: brown nuts, brown cocoa, brown coffee, brown others, savory meat, fruity citrus, fruity tropical, fruity others. Nut, hazelnut, roasty, fatty, sweet, long lasting
Used in flavours, at 50ppm in chewing gum, at 20ppm in cereal oils/fats and nut products, dairy and sugar confection at 5ppm, and in beverages at 0.5ppm. Butter/mushroom hazelnut
General comment Nutty, roasted, coffee, cocoa, brown with an earthy and meaty nuance

Occurrences

Potential Uses

Applications
Odor purposes Coffee, Hazelnut, Tobacco
Flavoring purposes Beverage, Caramel, Cereal, Chocolate cocoa, Dairy, Fat, Macadamia, Roasted
Other purposes Chewing gum, Confection, Oils
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for filbert heptenone usage levels up to:
0.2000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 5.80 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Structure Class: I
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: 15. Update in publication number(s): 16
Click here to view publication 15
average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): -0.50000
breakfast cereal: -20.00000
cheese: --
chewing gum: -50.00000
condiments / relishes: --
confectionery froastings: -20.00000
egg products: --
fats / oils: -20.00000
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: -20.00000
granulated sugar: --
gravies: --
hard candy: -20.00000
imitation dairy: -10.00000
instant coffee / tea: --
jams / jellies: -5.00000
meat products: --
milk products: -10.00000
nut products: -20.00000
other grains: --
poultry: --
processed fruits: -5.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -20.00000
soft candy: -20.00000
soups: -5.00000
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):

Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19
View page or View pdf

Safety and efficacy of oct-1-en-3-ol, pent-1-en-3-ol, oct-1-en-3-one, oct-1-en-3-yl acetate, isopulegol and 5-methylhept-2-en-4-one, belonging to chemical group 5 and of isopulegone and a-damascone belonging to chemical group 8 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):81925-81-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :517791
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
5-methylhept-2-en-4-one
Chemidplus:0081925817