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3-heptyl dihydro-5-methyl-2(3H)-furanone

Chemical Structure

General Material Information

Preferred name 3-heptyl dihydro-5-methyl-2(3H)-furanone
Trivial Name 3-Heptyldihydro-5-methyl-2(3H)-furanone
Short Description 3-heptyldihydro-5-methyl-2(3H)-furanone
Formula C12 H22 O2
CAS Number 40923-64-6
FEMA Number 3350
Flavis Number 10.026
ECHA Number 255-141-2
FDA UNII B5Z5UJR56Z
Nikkaji Number J294.790K
COE Number 10953
xLogP3-AA 4.30 (est)
NMR Predictor External link
JECFA Food Flavoring 244 3-heptyldihydro-5-methyl-2(3H)-furanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 40923-64-6 ; 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURAN
Synonyms
  • 2(3H)- furanone, 3-heptyldihydro-5-methyl-
  • 3-heptyl dihydro-5-methyl furan-2(3H)-one
  • 3-heptyl dihydro-5-methyl-2(3H) furanone
  • 3-heptyl-5-methyl oxolan-2-one
  • 3-heptyl-5-methyl-2,3H-furanone
  • 3-heptyl-5-methyldihydrofuran-2(3H)-one
  • 3-heptyl-5-methyloxolan-2-one
  • alpha- heptyl-gamma-valerolactone
  • alpha-N- heptyl-gamma-valerolactone
  • 3-heptyldihydro-5-methyl-2(3H)-furanone
  • 3-heptyldihydro-5-methylfuran-2(3H)-one
  • 3-heptyl-5-methyloxolan-2-one
  • 2(3H)-Furanone, 3-heptyldihydro-5-methyl-
  • 3-Heptyldihydro-5-methyl-2(3H)-furanone
  • 3-Heptyldihydro-5-methylfuran-2(3H)-one
  • 3-Heptyl-5-methyldihydrofuran-2(3H)-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):HMDB37813
FooDB:FDB016958
Export Tariff Code:2932.19.0000
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 198.30574035645
Specific gravity @ 25 °C
Pounds per Gallon 7.697 to 7.822
Refractive Index 1.447 to 1.452 @ 20 °C
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 116.67 °C TCC
logP (o/w) 3.496 est
Shelf life 24 months (or longer if stored properly.)
Solubility
alcohol Yes
water, 48 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Creamy
creamy, lactonic, green, waxy, gooseberry, plum, kiwi, peach, citrus, fruity
Odor strength medium
Substantivity 901 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 100.00 %. creamy lactonic green waxy gooseberry plum kiwi peach citrus fruity
Mosciano, Gerard P&F 18, No. 4, 51, (1993) Creamy, lactonic, green, waxy with a citrus fruity nuance
Flavor Type: Fruity
fruity, creamy, waxy, green, fatty, oily, cortex, lactonic, citrus, sweet
Luebke, William tgsc, (2021) Fruity creamy waxy green fatty oily cortex lactonic citrus
Mosciano, Gerard P&F 18, No. 4, 51, (1993) At 20.00 ppm. Fruity, green, sweet, creamy and fatty with a citrus nuance

Potential Uses

Applications
Odor purposes Mango, Melon, Orange, Peach, Pear
Flavoring purposes Tropical

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 3-heptyl dihydro-5-methyl-2(3H)-furanone usage levels up to:
0.8000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.037 (μg/capita/day)
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. Update in publication number(s): 7
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.50000
milk products: -1.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.50000
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):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):40923-64-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61990
National Institute of Allergy and Infectious Diseases:Data
3-heptyl-5-methyloxolan-2-one
Chemidplus:0040923646