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5,5-dibutyl dihydrofuran-2(3H)-one

Chemical Structure

General Material Information

Preferred name 5,5-dibutyl dihydrofuran-2(3H)-one
Trivial Name 5,5-Dibutyldihydro-2(3H)-furanone
Short Description 4,4-dibutyl-gamma-butyrolactone
Formula C12 H22 O2
CAS Number 7774-47-2
FEMA Number 2372
Flavis Number 10.018
ECHA Number 231-875-9
FDA UNII I7JV550U9G
Nikkaji Number J326.553F
COE Number 2231
xLogP3-AA 3.70 (est)
NMR Predictor External link
JECFA Food Flavoring 227 4,4-dibutyl-gamma-butyrolactone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7774-47-2 ; 4,4-DIBUTYL-GAMMA-BUTYROLACTONE
Synonyms
  • 4-butyl-4-hydroxyoctanoic acid lactone
  • 4-butyloctano-1,4-lactone
  • dibutyl butyrolactone
  • 5,5-dibutyl dihydrofuran-2(3H)-one
  • dibutyl dihydrofuranone
  • 4,4-dibutyl-4-hydroxybutyric acid gamma-lactone
  • 4,4-dibutyl-gamma-butyrolactone
  • dibutylbutyrolactone
  • 5,5-dibutyldihydro-2(3H)-furanone
  • 5,5-dibutyldihydrofuran-2(3H)-one
  • 5,5-dibutyloxolan-2-one
  • 2(3H)- furanone, 5,5-dibutyldihydro-
  • 5,5-dibutyloxolan-2-one
  • 2(3H)-Furanone, 5,5-dibutyldihydro-
  • 5,5-Dibutyldihydro-2(3H)-furanone
  • 4,4-Dibutyl-γ-butyrolactone

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):HMDB36182
FooDB:FDB015036
Export Tariff Code:2932.29.6000
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
Boiling Point 279 to 280°C @ 760 mm Hg
Vapor Pressure 0.004 mmHg @ 25 °C
Flash Point TCC Value 112.78 °C TCC
logP (o/w) 3.46
Solubility
alcohol Yes
water, 44.73 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coconut
oily, coconut, buttery
General comment At 100.00 %. oily coconut butter
Flavor Type: Creamy
creamy, coconut
General comment Creamy coconut

Potential Uses

Applications
Odor purposes Bay rum
Flavoring purposes Butter, Coconut, Pina colada, Tropical
Cosmetic purposes Perfuming agents

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 5,5-dibutyl dihydrofuran-2(3H)-one usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -15.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.800003.50000
fruit ices: 2.800003.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 4.4000015.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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):7774-47-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10608036
National Institute of Allergy and Infectious Diseases:Data
5,5-dibutyloxolan-2-one
Chemidplus:0007774472