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4-((2-methyl-3-furyl)thio)-5-nonanone

Chemical Structure

General Material Information

Preferred name 4-((2-methyl-3-furyl)thio)-5-nonanone
Trivial Name 4-[(2-Methyl-3-furanyl)thio]-5-nonanone
Short Description 4-[(2-methyl-3-furyl)thio]-5-nonanone
Formula C14 H22 O2 S
CAS Number 61295-50-9
FEMA Number 3571
Flavis Number 13.078
ECHA Number 262-691-7
FDA UNII DQZ4Y02VLM
Nikkaji Number J268.430F
MDL MFCD08741453
COE Number 11923
xLogP3-AA 4.30 (est)
NMR Predictor External link
JECFA Food Flavoring 1087 4-[(2-methyl-3-furyl)thio]-5-nonanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 61295-50-9 ; 4-((2-METHYL-3-FURYL)THIO)-5-NONANONE
Synonyms
  • 1,3-dipropyl acetonyl 2-methyl-3-furyl sulfide
  • 1,3-dipropylacetonyl 2-methyl-3-furyl sulfide
  • 4-((2-methyl-3-furyl)sulfanyl)nonan-5-one
  • 4-[(2-methyl-3-furyl)sulfanyl]nonan-5-one
  • 4-((2-methyl-3-furyl)thio)nonan-5-one
  • 4-[(2-methyl-3-furyl)thio]-5-nonanone
  • 4-[(2-methyl-3-furyl)thio]nonan-5-one
  • 3-(2-methyl-3-furylthio)nonanone
  • 4-(2-methyl-furan-3-ylsulfanyl)nonan-5-one
  • 4-(2-methylfuran-3-yl)sulfanylnonan-5-one
  • 5-nonanone, 4-((2-methyl-3-furanyl)thio)-
  • 5-nonanone, 4-[(2-methyl-3-furanyl)thio]-
  • 4-(2-methylfuran-3-yl)sulfanylnonan-5-one
  • 5-Nonanone, 4-[(2-methyl-3-furanyl)thio]-
  • 4-[(2-Methyl-3-furanyl)thio]-5-nonanone
  • 4-[(2-Methyl-3-furyl)thio]-5-nonanone

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):HMDB37141
FooDB:FDB016136
Export Tariff Code:2930.20.0090
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 254.39274597168
Specific gravity @ 25 °C
Pounds per Gallon 8.321 to 8.421
Refractive Index 1.489 to 1.496 @ 20 °C
Boiling Point 102 to 103°C @ 0.25 mm Hg
Vapor Pressure 0.000213 mmHg @ 25 °C
Flash Point TCC Value 151.11 °C TCC
logP (o/w) 4.551 est
Solubility
alcohol Yes
water, 4.606 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Meaty
meaty roasted meaty, meaty
General comment At 0.10 % in propylene glycol. roasted meaty

Potential Uses

Applications
Flavoring purposes Meat

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 4-((2-methyl-3-furyl)thio)-5-nonanone usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.73 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.70 (μg/capita/day)
NOEL (No Observed Effect Level): 3.80 (mg/kg bw per day)
Structure Class: III
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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -1.00000
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: -1.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: -1.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -1.00000
soft candy: --
soups: -1.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 65, Revision 1 (FGE.65Rev1): Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of ‘Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14’ evaluated by EFSA in FGE.13Rev2 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
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 :62182
National Institute of Allergy and Infectious Diseases:Data
4-(2-methylfuran-3-yl)sulfanylnonan-5-one
Chemidplus:0061295509