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(E)-7-methyl-3-octen-2-one

Chemical Structure

General Material Information

Preferred name (E)-7-methyl-3-octen-2-one
Trivial Name 7-Methyl-3-octen-2-one
Short Description (E)-7-methyl-3-octenone-2
Formula C9 H16 O
CAS Number 33046-81-0
FEMA Number 3868
Flavis Number 7.177
ECHA Number 251-361-8
FDA UNII 382AW7VZ7R
Nikkaji Number J113.927D
xLogP3-AA 2.50 (est)
NMR Predictor External link
JECFA Food Flavoring 1135 (E)-7-methyl-3-octen-2-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 977185-27-5 ; (E)-7-METHYL-3-OCTEN-2-ONE
Synonyms
  • dimethyl heptenone
  • dimethylheptenone
  • dimethylheptenone 1 PG
  • (E)-7-methyl oct-3-en-2-one
  • trans-7-methyl oct-3-en-2-one
  • (3E)-7-methyl-3-octen-2-one
  • 7-methyl-3-octen-2-one
  • trans-7-methyl-3-octen-2-one
  • (E)-7-methyl-3-octenone-2
  • trans-7-methyl-3-octenone-2
  • (E)-7-methyloct-3-en-2-one
  • 7-methyloct-3-en-2-one
  • trans-7-methyloct-3-en-2-one
  • 3-octen-2-one, 7-methyl-
  • (E)-7-methyloct-3-en-2-one
  • 3-Octen-2-one, 7-methyl-
  • 7-Methyl-3-octen-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):HMDB39461
FooDB:FDB019062
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.2257232666
Specific gravity @ 25 °C
Pounds per Gallon 6.973 to 7.048
Refractive Index 1.446 to 1.451 @ 20 °C
Vapor Pressure 0.415 mmHg @ 25 °C
Flash Point TCC Value 76.67 °C TCC
logP (o/w) 2.504 est
Solubility
alcohol Yes
water, slightly Yes
water, 403.8 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, fatty, oily, lactonic, nutty, meaty
General comment At 100.00 %. fruity floral
Flavor Type: Fatty
fatty, oily, lactonic, nutty, meaty, tallow
General comment Fatty oily lactonic nutty meaty tallow fatty
DIMETHYLHEPTENONE is key for savory oily and meaty character. In lower dosages its lactonic and nutty profile works nicely in dairy and nut flavors. Powerful fatty, oily, lactonic, nut and meat fat notes

Occurrences

Potential Uses

Applications
Odor purposes Floral, Fruit

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:
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 (E)-7-methyl-3-octen-2-one usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.04 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/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: 18
Click here to view publication 18
average usual ppmaverage maximum ppm
baked goods: 0.200001.00000
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): --
breakfast cereal: 0.200001.00000
cheese: 0.200002.00000
chewing gum: --
condiments / relishes: 0.200001.00000
confectionery froastings: 0.200001.00000
egg products: 0.200001.00000
fats / oils: 0.300001.00000
fish products: 0.100001.00000
frozen dairy: 0.300002.00000
fruit ices: 0.100001.00000
gelatins / puddings: 0.100001.00000
granulated sugar: --
gravies: 0.200002.00000
hard candy: --
imitation dairy: 0.200001.00000
instant coffee / tea: 0.100001.00000
jams / jellies: --
meat products: 0.300002.00000
milk products: 0.200001.00000
nut products: 0.200002.00000
other grains: 0.200001.00000
poultry: 0.200001.00000
processed fruits: 0.100001.00000
processed vegetables: 0.200002.00000
reconstituted vegetables: 0.100001.00000
seasonings / flavors: 0.100002.00000
snack foods: 0.200002.00000
soft candy: 0.100001.00000
soups: 0.200002.00000
sugar substitutes: 0.200001.00000
sweet sauces: 0.100001.00000

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):

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

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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5363231
National Institute of Allergy and Infectious Diseases:Data
(E)-7-methyloct-3-en-2-one
Chemidplus:0033046810