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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
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coffee furanone

General Material Information

Preferred name coffee furanone
Trivial Name 2-methyloxolan-3-one
Short Description 2-methyltetrahydrofuran-3-one
Formula C5 H8 O2
CAS Number 3188-00-9
CAS Number 3188-00-9 (R)
CAS Number 3188-00-9 (S)
Deleted CAS Number 159551-39-0
FEMA Number 3373
Flavis Number 13.042
ECHA Number 221-685-4
FDA UNII I3703CL967
Nikkaji Number J75.503F
Beilstein Number 1341334
MDL MFCD00010423
COE Number 2338
NMR Predictor External link
JECFA Food Flavoring 1448 2-methyltetrahydrofuran-3-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3188-00-9 ; 2-METHYLTETRAHYDROFURAN-3-ONE
Synonyms
  • coffee furanone natural
  • dihydro-2-methyl-3-furanone
  • dihydro-2-methyl-3,2H-furanone
  • dihydro-2-methyl-3(2H)-furanone
  • 4,5-dihydro-2-methyl-3(2H)-furanone
  • 4,5-dihydro-2-methylfuran-3(2H)-one
  • 3(2H)- furanone, dihydro-2-methyl-
  • 2-methyl tetrahydrofuran-3-one
  • 2-methyl-2,4,5-trihydrofuran-3-one
  • 2-methyl-3-ketotetrahydrofuran
  • 2-methyl-3-oxotetrahydrofuran
  • 2-methyl-4,5-dihydro-3(2H)-furanone
  • 2-methyl-tetrahydrofuran-3-one
  • 2-methyldihydrofuran-3(2H)-one
  • 2-methyloxolan-3-one
  • 2-methyltetrahydro-3-furanone
  • 2-methyltetrahydrofuran-3-one
  • 2 methyltetrahydrofuran-3-one
  • 2-methyltetrahydrofuran-3-one natural
  • sugar furanone
  • tetrahydrofuran-3(2H)-one, 2-methyl-

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31178
FooDB:FDB003197
Export Tariff Code:2932.19.5100
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia: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

Suppliers

Advanced Biotech Ambles Nature et Chimie
Anhui Haibei Anhui Suzhou Jinli Aromatic Chemicals
Artiste Augustus Oils
Beijing Lys Chemicals BOC Sciences
Charkit Chemical CJ Latta & Associates
De Monchy Aromatics DeLong Chemicals America
Endeavour Specialty Chemicals Ernesto Ventós
FCI SAS Frutarom
H. Interdonati, Inc. IFF
Indukern F&F Jiangyin Healthway
Jinan Enlighten Chemical Technology(Wutong Aroma ) Kingchem Laboratories
Lluch Essence M&U International
O'Laughlin Industries OQEMA
Pearlchem Corporation Penta International
Phoenix Aromas & Essential Oils R C Treatt & Co Ltd
Riverside Aromatics Robinson Brothers
Santa Cruz Biotechnology Sigma-Aldrich
SRS Aromatics Sunaux International
Synerzine Taytonn ASCC
TCI AMERICA Tengzhou Jitian Aroma Chemiclal
Tengzhou Xiang Yuan Aroma Chemicals Tianjin Danjun International
United International Vigon International
WholeChem Advanced Biotech. Inc.
Augustus Oils Ltd Beijing Lys Chemicals Co, LTD.
Charkit Chemical Corporation CJ Latta & Associates, LLC
Endeavour Specialty Chemicals Ltd FRUTAROM USA INC,
Indukern, S.A. F&F Ingredients Division Jiangyin Healthway International Trade Co., Ltd
Lluch Essence S.L. M&U International LLC
O'Laughlin Industries Inc. Penta International Corporation
Riverside Aromatics Ltd. Robinson Brothers Limited
SRS Aromatics Ltd Synerzine, Inc.
Taytonn ASCC Pte Ltd Tianjin Danjun International Trade Co., LTD.
R C Treatt and Co Ltd Qingdao Free Trade Zone United International Co Ltd
Ernesto Ventós S.A. WholeChem, LLC

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 100.11715698242
Specific gravity @ 25 °C
Pounds per Gallon 9.819 to 9.86
Refractive Index 1.534 to 1.537 @ 20 °C
Boiling Point 138 to 139°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 6.556 mmHg @ 25 °C
Vapor Density 3.4
Flash Point TCC Value 39.44 °C TCC
logP (o/w) -0.563 est
Shelf life 12 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
dipropylene glycol Yes
water, slightly Yes
water, 1.716e+005 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Bready
sweet, solvent, bready, buttery, nutty, brown, rummy
Luebke, William tgsc, (1992) At 10.00 % in dipropylene glycol. sweet solvent bread buttery nutty
Mosciano, Gerard P&F 20, No. 5, 49, (1995) Sweet and solvent-like with a brown, rummy and nut-like nuance
Flavor Type: Nutty
nutty, astringent, creamy, almond
Mosciano, Gerard P&F 20, No. 5, 49, (1995) At 75.00 ppm. Nutty and astringent with a slight, creamy almond nuance
Use: up to 10ppm, in chocolate, bread, and meat flavors. Nutty and astringent with a slight, creamy almond nuance

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
oral-mouse LD50 [sex: M,F] 1860 mg/kg
(Moran & Easterday, 1980)

oral-mouse LD50 1860 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

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 coffee furanone usage levels up to:
0.3000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 20.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (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: 6. Update in publication number(s): 7
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: -10.00000
cheese: --
chewing gum: --
condiments / relishes: -10.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: -10.00000
granulated sugar: --
gravies: -10.00000
hard candy: -10.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -10.00000
milk products: -10.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -10.00000
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):

Flavouring Group Evaluation 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 75 (FGE.75)[1] - Consideration of tetrahydrofuran derivatives and a furanone derivative evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008)
View page or View pdf

Scientific Opinion on the safety and efficacy of furanones and tetrahydrofurfuryl derivatives: 5-ethyl-3-hydroxy-4-methylfuran-2(5H)-one and 3-hydroxy-4,5-dimethylfuran-2(5H)-one (chemical group 13) when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 75, Revision 1 (FGE.75Rev1): Consideration of tetrahydrofuran derivatives evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3188-00-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18522
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methyloxolan-3-one
Chemidplus:0003188009
RTECS:LU3579000 for cas# 3188-00-9
(2R)-2-methyloxolan-3-one
(2S)-2-methyloxolan-3-one