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rosefuran
3-methyl-2-(3-methylbut-2-en-1-yl)furan

Sponsors

Name:3-methyl-2-(3-methylbut-2-enyl)furan
CAS Number: 15186-51-3Picture of molecule3D/inchi
FDA UNII:PNC9VDU98G
Nikkaji Web:J14.082A
XlogP3-AA:3.30 (est)
Molecular Weight:150.22078000
Formula:C10 H14 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Register name to be changed to: 3-Methyl-2/(3-methylbut-2-enyl)furan.
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1494 3-methyl-2-(3-methylbut-2-enyl)-furan
FLAVIS Number:13.148 (Old)
DG SANTE Food Flavourings:13.148 3-methyl-2(3-methylbut-2-en-1-yl)furan
FEMA Number:4174 3-methyl-2-(3-methylbut-2-en-1-yl)furan
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-METHYL-2(3-METHYLBUT-2-EN-1-YL)FURAN
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99800 to 1.00400 @ 25.00 °C.
Pounds per Gallon - (est).: 8.304 to 8.354
Refractive Index:1.47300 to 1.47900 @ 20.00 °C.
Boiling Point: 70.00 °C. @ 11.00 mm Hg
Boiling Point: 194.00 to 195.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.608000 mm/Hg @ 25.00 °C. (est)
Flash Point: 144.00 °F. TCC ( 62.22 °C. )
logP (o/w): 3.533 (est)
Soluble in:
 alcohol
 water, 17.32 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
caramellic green minty
Odor Description:at 1.00 % in dipropylene glycol. caramel green minty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
rosefuran
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
Recommendation for rosefuran usage levels up to:
  0.6000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 22
 average usual ppmaverage maximum ppm
baked goods: 5.0000025.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 2.0000010.00000
cheese: 3.0000015.00000
chewing gum: --
condiments / relishes: 2.0000010.00000
confectionery froastings: 4.0000020.00000
egg products: --
fats / oils: 2.0000010.00000
fish products: 1.000005.00000
frozen dairy: 3.0000015.00000
fruit ices: 3.0000015.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000005.00000
milk products: 3.0000015.00000
nut products: --
other grains: 2.0000010.00000
poultry: 1.000005.00000
processed fruits: 2.0000010.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 2.0000010.00000
snack foods: 5.0000025.00000
soft candy: --
soups: 2.0000010.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):

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 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

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):15186-51-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :84825
National Institute of Allergy and Infectious Diseases:Data
3-methyl-2-(3-methylbut-2-enyl)furan
Chemidplus:0015186513
 
References:
 3-methyl-2-(3-methylbut-2-enyl)furan
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:15186-51-3
Pubchem (cid):84825
Pubchem (sid):135040837
Flavornet:15186-51-3
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009846
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry: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
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
balsamic
2-
acetyl furan
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel furanone solution
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
fenugreek absolute
FL/FR
geranyl crotonate
FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
citrus
ocimene quintoxide
FL/FR
coconut
gamma-
heptalactone
FL/FR
coumarinic
tonka bean resinoid
FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
cyclohexyl propanol
FR
geranium oil china
FL/FR
fruity
2-
cyclopentyl cyclopentanone
FL/FR
(E)-
ethyl tiglate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
butyl levulinate
FL/FR
dehydroxylinalool oxide
FL/FR
licorice
sweet
basil oleoresin
FL/FR
minty
peppermint absolute
FL/FR
iso
propyl tiglate
FL/FR
iso
pulegyl formate
FL/FR
spearmint absolute
FL/FR
spearmint oil america
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
origanum majorana oil
FL/FR
(E)-
tiglic acid
FL/FR
sulfurous
buchu mercaptan
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
2-
cyclopentyl cyclopentanone
FL/FR
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
ethyl 4-pentenoate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
furfuryl acetone
FL
mango furanone
FL
menthone lactone
FL/FR
iso
pulegyl formate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
acidic
acidic
levulinic acid
FL/FR
brown
2-oxo
butyric acid
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
diacetyl
FL
3,4-
hexane dione
FL/FR
caramellic
caramel furanone
FL
caramel furanone solution
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
coffee
2-iso
propyl pyrazine
FL
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
fatty
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
floral
geranium oil china
FL/FR
fruity
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2-
pentanoyl furan
FL
iso
valeraldehyde propylene glycol acetal
FL/FR
green
immortelle absolute
FL/FR
ocimene quintoxide
FL/FR
iso
propyl tiglate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
butyl levulinate
FL/FR
5-
hydroxymethyl furfural
FL
origanum majorana oil
FL/FR
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
licorice
sweet
basil oleoresin
FL/FR
milky
gamma-
butyrolactone
FL/FR
minty
peppermint absolute
FL/FR
spearmint absolute
FL/FR
spearmint oil america
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
ethyl pyruvate
FL/FR
sulfurous
buchu mercaptan
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanillyl isobutyrate
FL/FR
waxy
furfuryl octanoate
FL
woody
dehydroxylinalool oxide
FL/FR
 
Potential Uses:
FLcaramel
FRmint
FRrose
 
Occurrence (nature, food, other):note
 cactus vanilla cactus
Search Trop Picture
 ginger rhizome
Search Trop Picture
 ginger rhizome oil
Search Trop Picture
 rebutia marsoneri
Search Trop Picture
 rose oil
Search Trop Picture
 
Synonyms:
gamma-clausenane
 furan, 3-methyl-2-(3-methyl-2-butenyl)-
(methyl butenyl) methyl furan
3-methyl-2-(3-methyl but-2-en-1-yl) furan
3-methyl-2-(3-methyl-2-butenyl) furan
3-methyl-2-(3-methylbut-2-en-1-yl)furan
3-methyl-2-(3-methylbut-2-enyl)-furan
3-methyl-2-(3-methylbut-2-enyl)furan
2-(3-methyl-2-butenyl)-3-methyl furan
2-(3-methyl-2-butenyl)-3-methylfuran
3-methyl-2-prenylfuran
2-(3'-methyl-2'-butenyl)-3-methylfuran
3-methyl-2(3-methylbut-2-en-1-yl)furan
(methylbutenyl)methylfuran
a-naginatene
alpha-naginatene
 rose furan
 

Articles:

Info:substances containing furan substitution
PubMed:From simple furans to complex nitrogen-bearing aromatic polycycles by means of a flexible and general reaction sequence initiated by singlet oxygen.
PubMed:Cellulase production from spent lignocellulose hydrolysates by recombinant Aspergillus niger.
PubMed:Acid-promoted cyclization reactions of tetrahydroindolinones. Model studies for possible application in a synthesis of selaginoidine.
PubMed:Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction.
PubMed:Triflic anhydride mediated cyclization of 5-hydroxy-substituted pyrrolidinones for the preparation of alpha-trifluoromethylsulfonamido furans.
PubMed:Several convenient methods for the synthesis of 2-amido substituted furans.
PubMed:A pharmacokinetic model for estimating exposure of Americans to dioxin-like compounds in the past, present, and future.
PubMed:Structural elucidation of twelve novel esters composed of five fatty acids and three new branched alcohols together with four monoterpenoids from Sancassania shanghaiensis (Acari: Acaridae).
PubMed:Similarities in the aroma chemistry of Gewürztraminer variety wines and lychee (Litchi chinesis sonn.) fruit.
PubMed:The volatile constituents of Elsholtzia flava.
PubMed:Correlation between dioxin levels in adipose tissue and estimated exposure to Agent Orange in south Vietnamese residents.
PubMed:Some prevalent biomolecules as defenses against singlet oxygen damage.
PubMed:The Essential Oil of Perilla ocimoides: A Rich Source of Rosefuran.
 
Notes:
None found
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