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

blackberry thiophenone
2-methyltetrahydrothiophen-3-one

Sponsors

Flavor Demo Formulas
Name:2-methylthiolan-3-one
CAS Number: 13679-85-1Picture of molecule3D/inchi
Other:74015-70-6
ECHA EINECS - REACH Pre-Reg:237-183-3
FDA UNII:TN0FKW9W4K
Nikkaji Web:J277.987K
MDL:MFCD00078280
CoE Number:11601
XlogP3-AA:0.80 (est)
Molecular Weight:116.18296000
Formula:C5 H8 O S
NMR Predictor:Predict (works with chrome or firefox)
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:499 2-methyltetrahydrothiophen-3-one
FLAVIS Number:15.023 (Old)
DG SANTE Food Flavourings:15.023 4,5-dihydro-2-methylthiophen-3(2H)-one
FEMA Number:3512 2-methyltetrahydrothiophen-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-METHYLTETRAHYDROTHIOPHEN-3-ONE
 
Physical Properties:
Appearance:colorless to dark yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.12200 to 1.12600 @ 25.00 °C.
Pounds per Gallon - (est).: 9.336 to 9.369
Refractive Index:1.50800 to 1.51200 @ 20.00 °C.
Boiling Point: 82.00 °C. @ 28.00 mm Hg
Boiling Point: 64.00 to 65.00 °C. @ 11.00 mm Hg
Vapor Pressure:0.917000 mm/Hg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 0.758 (est)
Soluble in:
 alcohol
 fats
 water, 7.611e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous fruity berry
Odor Description:at 0.10 % in dipropylene glycol. sulfur fruity berry
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2-Methyltetrahydrothiophen-3-one
BOC Sciences
For experimental / research use only.
2-Methyltetrahydrothiophen-3-one
DeLong Chemicals America
2-Methyltetrahydrothiophen-3-one, Kosher
Jiangyin Healthway
2-Methyltetrahydrothiophene-3-one
New functional food ingredients
M&U International
2-METHYLTETRAHYDROTHIOPHEN-3-ONE, Kosher
Penta International
2-METHYLTETRAHYDROTHIOPHEN-3-ONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyltetrahydrothiophen-3-one
Sigma-Aldrich
2-Methyltetrahydrothiophen-3-one, ≥97%, FG
Certified Food Grade Products
Sunaux International
2-Methyltetrahydrothiophen-3-one
Synerzine
2-Methyl Tetrahydrothiophen-3-one
TCI AMERICA
For experimental / research use only.
2-Methyl-3-tetrahydrothiophenone >97.0%(GC)
Tengzhou Jitian Aroma Chemiclal
2-Methyl tetrahydrothiophene-3-one
Treatt
2-Methyltetrahydrothiophen-3-one
Halal, Kosher
Flavor: sulfurous
Used meat and poultry flavours in snack foods at 15ppm; in meat products at 2ppm; and in soups at 1ppm.
Vigon International
Methyl-2 Tetrahydrothiophen-3-one Pure
Odor: Sulphur,Fruity,Berry
Wujiang CIYUN Flavor & Fragrance
2-Methyltetrahydrothiophen-3-one ≥98.0%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for blackberry thiophenone usage levels up to:
  0.1000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (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: 10
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -0.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: -0.50000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.50000
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):13679-85-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61664
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylthiolan-3-one
Chemidplus:0013679851
 
References:
 2-methylthiolan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13679-85-1
Pubchem (cid):61664
Pubchem (sid):135017604
Flavornet:13679-85-1
 
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
CHEBI:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB021344
YMDB (Yeast Metabolome Database):YMDB01467
Export Tariff Code:2934.99.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Methyltetrahydrothiophen-3-one
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
balsamic
pine needle absolute
FL/FR
scotch
pine wood/needles resinoid
FR
berry
blackberry infusions
FL/FR
blackberry specialty
FR
blueberry fragrance
FR
blueberry infusions
FL/FR
black
currant fragrance
FR
currant fragrance
FR
black
currant infusions
FL/FR
gooseberry fragrance
FR
huckleberry fragrance
FR
methyl beta-ionyl acetate
FR
raspberry essence
FL/FR
black
raspberry fragrance
FR
raspberry infusions
FL/FR
raspberry ketone acetate
FL/FR
rubus fruticosus fruit extract
FL/FR
camphoreous
3-
benzylidene-2-butanone
FL/FR
beta-homo
cyclocitral
FL/FR
caramellic
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
ethereal
propyl formate
FL/FR
fermented
valeraldehyde
FL/FR
floral
blue lagoon fragrance
FR
boronia absolute
FL/FR
cassis buteneone
FR
citronellyl isovalerate
FL/FR
alpha-
damascone
FL/FR
delta-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
beta-
ionone
FL/FR
nerolin fragarol
FL/FR
rhodinyl butyrate
FL/FR
rose carboxylate
FR
fruity
artemisia pallens herb oil
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
blackberry essence
FL/FR
blackberry fragrance
FR
blueberry essence
FL/FR
boysenberry essence
FL/FR
butyl hexanoate
FL/FR
2-tert-
butyl-5-methyl-2-propyl tetrahydrofuran
FR
cassyrane
FL/FR
black
currant essence
FL/FR
red
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
davana oil CO2 extract
FL/FR
dihydroactinidolide
FL/FR
etaspirene
FR
ethyl (R)-2-hydroxy-4-methyl pentanoate
FR
ethyl (S)-2-hydroxy-4-methyl pentanoate
FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 2-hydroxy-4-methyl valerate
FR
ethyl 2-methyl butyrate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E)-
ethyl tiglate
FL/FR
filbert hexenone
FL/FR
fruit specialty
FR
heliotropyl isobutyrate
FL/FR
herbanate (Givaudan)
FR
beta-
ionone epoxide
FL/FR
maltyl acetate
FL/FR
maltyl butyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
3-
nonen-2-one
FL/FR
osmanthus flower absolute
FL/FR
iso
propenyl acetate
FL/FR
black
raspberry essence
FL/FR
red
raspberry essence
FL/FR
raspberry fragrance
FR
raspberry fruit oil
FR
ribes nigrum fruit extract
FL/FR
ribes rubrum fruit extract
FL/FR
iso
spirene
FR
strawberry glycidate 2
FL/FR
strawberry infusions
FL/FR
styralyl butyrate
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
iso
amyl formate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
thiogeraniol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu mercaptan acetate
FL/FR
juniper carboxaldehyde
FR
methyl ortho-anisate
FL/FR
mentholic
menthyl acetate racemic
FL/FR
minty
diosphenol
FL/FR
soapy
ambrettolide
FL/FR
spicy
black
currant bud absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
3-
thiohexanol
FL/FR
waxy
(E)-2-
octen-1-yl butyrate
FL/FR
For Flavor
No flavor group found for these
allyl tiglate
FL
iso
amyl 3-methyl thiopropionate
FL
3-
benzylidene-2-butanone
FL/FR
2-
butyl-5-ethyl thiophene
FL
citronellyl isovalerate
FL/FR
dihydroactinidolide
FL/FR
diosphenol
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl ortho-anisate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
pine needle absolute
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
allyl thiohexanoate
FL
beta-
damascone
FL/FR
3-
mercapto-3-methyl-1-butyl acetate
FL
berry
berry
blackberry infusions
FL/FR
blueberry essence
FL/FR
blueberry infusions
FL/FR
black
currant infusions
FL/FR
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
maltyl acetate
FL/FR
maltyl butyrate
FL/FR
raspberry essence
FL/FR
raspberry infusions
FL/FR
raspberry ketone acetate
FL/FR
rubus fruticosus fruit extract
FL/FR
rubus idaeus fruit extract
FL
caramellic
maltyl propionate
FL/FR
citrus
3-
mercaptoheptyl acetate
FL
coffee
methyl furfuryl disulfide
FL/FR
cooling
beta-homo
cyclocitral
FL/FR
ethereal
iso
propenyl acetate
FL/FR
floral
2-
methyl butyl 3-methyl butenoate
FL
rhodinyl butyrate
FL/FR
fruity
artemisia pallens herb oil
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
blackberry essence
FL/FR
boronia absolute
FL/FR
boysenberry essence
FL/FR
buchu mercaptan acetate
FL/FR
butyl hexanoate
FL/FR
cassyrane
FL/FR
black
currant essence
FL/FR
red
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
davana oil CO2 extract
FL/FR
ethyl (E)-2-methyl-2-pentenoate
FL
ethyl 2-methyl butyrate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl methyl-para-tolyl glycidate
FL/FR
(E)-
ethyl tiglate
FL/FR
filbert hexenone
FL/FR
furfuryl isovalerate
FL
heliotropyl isobutyrate
FL/FR
3-
mercaptohexyl hexanoate
FL
methionyl butyrate
FL
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
nerolin fragarol
FL/FR
propyl formate
FL/FR
black
raspberry essence
FL/FR
red
raspberry essence
FL/FR
ribes nigrum fruit extract
FL/FR
ribes rubrum fruit extract
FL/FR
strawberry glycidate 2
FL/FR
strawberry infusions
FL/FR
styralyl butyrate
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
iso
amyl formate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
jammy
maltyl isobutyrate
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
roasted
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
soapy
ambrettolide
FL/FR
spicy
black
currant bud absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
S-
ethyl thioacetate
FL
4-
methoxy-2-methyl butane thiol
FL/FR
3-
thiohexanol
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
winey
valeraldehyde
FL/FR
woody
ambrette seed absolute
FL/FR
delta-
damascone
FL/FR
beta-
ionone
FL/FR
 
Potential Uses:
FRberry
FLchicken
FRcoconut
FRcurrant black currant
 
Occurrence (nature, food, other):note
 beef boiled beef
Search PMC Picture
 beer
Search PMC Picture
 butter
Search PMC Picture
 coffee
Search PMC Picture
 currant black currant fruit juice
Search Trop Picture
 maize
Search PMC Picture
 peanut roasted peanut
Search Trop Picture
 pork
Search PMC Picture
 strawberry wild strawberry fruit
Search Trop Picture
 whiskey malt whiskey
Search Picture
 wine bilberry wine
Search Picture
 wine red wine
Search Picture
 wine white wine
Search Picture
 
Synonyms:
 dihydro-2-methyl thiophen-3(2H)-one
 dihydro-2-methyl-3-thiophenone
 dihydro-2-methyl-3(2H)-thiophenone
4,5-dihydro-2-methyl-3(2H)-thiophenone
4,5-dihydro-2-methylthiophen-3(2H)-one
2-methyl tetrahydrothiophen-3-one
2-methyl tetrahydrothiophene-3-one
2-(methyl thio) lan-3-one
2-methyl thiolan-3-one
 methyl-2 tetrahydrothiophen-3-one 10% in vegetable oil
 methyl-2 tetrahydrothiophen-3-one pure
2-methyl-2,4,5-trihydrothiophen-3-one
2-methyl-3-oxotetrahydrothiophene
2-methyl-3-tetrahydrothiophenone
2-methyl-4,5-dihydro-3,2H-thiophenone
2-methyl-4,5-dihydro-3(2H)-thiophenone
2-methyl-4,5-dihydro-3(2H)thio-phenone
2-methyldihydrothiophen-3(2H)-one
2-methyltetrahydrothiophen-3-one
2-(methylthio) lan-3-one
2-methylthiolan-3-one
 thiophen-3-one, 2-methyltetrahydro-
3(2H)-thiophenone, dihydro-2-methyl-
 

Articles:

PubMed:Effect of storage time and heat processing on the volatile profile of Senegalese sole (Solea senegalensis Kaup, 1858) muscle.
PubMed:Characterization of odor-active compounds in guava wine.
PubMed:The biosynthesis of the aroma volatile 2-methyltetrahydrothiophen-3-one in the bacterium Chitinophaga Fx7914.
PubMed:Alcohols, esters and heavy sulphur compounds production by pure and mixed cultures of apiculate wine yeasts.
PubMed:Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts.
PubMed:GC-olfactometric characterization of aroma volatiles from the thermal degradation of thiamin in model orange juice.
 
Notes:
Used as a food additive [EAFUS]
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