EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

dimethyl benzofuranone
dimethylbenzofuranone

Supplier Sponsors

Name:(3S)-3,6-dimethyl-3H-1-benzofuran-2-one
CAS Number: 65817-24-5Picture of molecule3D/inchi
FDA UNII:0XUR2L45V9
Nikkaji Web:J3.068.610A
XlogP:2.00 (est)
Molecular Weight:162.18810000
Formula:C10 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn in Register does not specify stereoisomers. Racemate (EFFA, 2010a).
Category:flavoring 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:1167 2-(4-methyl-2-hydroxyphenyl)propionic acid-gamma-lactone
FLAVIS Number:10.072 (Old)
DG SANTE Food Flavourings:10.072 dimethyl-3,6-benzo-2(3H)-furanone
FEMA Number:3863 dimethylbenzofuranone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-(4-METHYL-2-HYDROXYPHENYL)PROPIONIC ACID-GAMMA-LACTONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.09900 to 1.10400 @ 25.00 °C.
Pounds per Gallon - (est).: 9.145 to 9.186
Refractive Index:1.51800 to 1.52400 @ 20.00 °C.
Boiling Point: 64.00 °C. @ 0.08 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.067000 mm/Hg @ 25.00 °C. (est)
Flash Point: 189.00 °F. TCC ( 87.22 °C. )
logP (o/w): 2.433 (est)
Soluble in:
 alcohol
 water, 3934 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Odor Description:at 1.00 % in dipropylene glycol. coconut
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
2(3H)-Benzofuranone, 3,6-dimethyl-
Parchem
dimethyl benzofuranone
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: flavoring agents
Recommendation for dimethyl benzofuranone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.84 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/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: 18
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 2.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: 10.0000050.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000020.00000
imitation dairy: --
instant coffee / tea: 2.0000010.00000
jams / jellies: --
meat products: --
milk products: 2.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.0000020.00000
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):

Flavouring Group Evaluation 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf

Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :642887
National Institute of Allergy and Infectious Diseases:Data
(3S)-3,6-dimethyl-3H-1-benzofuran-2-one
Chemidplus:0065817245
 
References:
 (3S)-3,6-dimethyl-3H-1-benzofuran-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):642887
Pubchem (sid):135299084
 
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):HMDB38893
FooDB:FDB018355
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
 
Potential Blenders and core components note
For Odor
animal
costus valerolactone
FR
cheesy
2-
heptanone
FL/FR
coconut
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
heptalactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
gamma-
octalactone
FL/FR
propyl octanoate
FL/FR
tetrahydrojasmone
FR
delta-
undecalactone
FL/FR
wine lactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
creamy lactone
FL/FR
fatty
lauric acid
FL/FR
floral
dihydrojasmone lactone
FL/FR
heliotropin
FL/FR
hexenyl cyclopentanone
FR
jasmin lactone (IFF)
FL/FR
2-
pentyl cyclopentanone
FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
methyl (Z)-5-octenoate
FL/FR
iso
propyl octanoate
FL/FR
green
alpha-
decalactone
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
methyl heptadienone
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
gamma-
hexalactone
FL/FR
7-
methyl coumarin
CS
mint lactone
FL/FR
whiskey lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
waxy
1-
dodecanol
FL/FR
methyl laurate
FL/FR
myristyl alcohol
FL/FR
2-
tridecanone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
coconut naphthalenone
FL/FR
alpha-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
jasmin lactone (IFF)
FL/FR
lauric acid
FL/FR
massoia bark oil
FL
myristyl alcohol
FL/FR
propyl octanoate
FL/FR
(R)-
tonka furanone
FL
wine lactone
FL/FR
cheesy
cheesy
2-
heptanone
FL/FR
cherry
heliotropin
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
coumarinic
phthalide
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
gamma-
hexalactone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
delta-
undecalactone
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
fatty
2-
tridecanone
FL/FR
fruity
amyl heptanoate
FL/FR
iso
amyl octanoate
FL/FR
gamma-
decalactone
FL/FR
4-
hydroxybenzyl alcohol
FL/FR
iso
propyl octanoate
FL/FR
green
methyl heptadienone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
delta-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
soapy
1-
dodecanol
FL/FR
waxy
dihydrojasmone lactone
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
undecanoic acid
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FLcoconut
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 dimethyl-3,6-benzo-2(3H)-furanone
(3S)-3,6-dimethyl-3H-1-benzofuran-2-one
 dimethylbenzofuranone
 furaminton
2-(4-methyl-2-hydroxyphenyl) propionic acid gamma-lactone
2-(4-methyl-2-hydroxyphenyl)propionic acid-gamma-lactone
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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