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2,5-dimethyl thiophene
thiophene, 2,5-dimethyl-

Supplier Sponsors

Name:2,5-dimethylthiophene
CAS Number: 638-02-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-313-9
FDA UNII:V6DDX6WB12
Nikkaji Web:J6.920E
Beilstein Number:0106450
MDL:MFCD00005452
CoE Number:11609
XlogP3-AA:2.40 (est)
Molecular Weight:112.19476000
Formula:C6 H8 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (DG SANCO, 2013).
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
FLAVIS Number:15.064 (Old)
DG SANTE Food Flavourings:15.064 2,5-dimethylthiophene
 
Physical Properties:
Appearance:colorless to orange brown clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98200 to 0.98800 @ 25.00 °C.
Pounds per Gallon - (est).: 8.171 to 8.221
Refractive Index:1.50800 to 1.51400 @ 20.00 °C.
Melting Point: -62.60 °C. @ 760.00 mm Hg
Boiling Point: 135.00 °C. @ 760.00 mm Hg
Vapor Pressure:8.982000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.8 ( Air = 1 )
Flash Point: 75.00 °F. TCC ( 23.89 °C. )
logP (o/w): 2.523 (est)
Soluble in:
 alcohol
 water, 351.5 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
nutty sulfurous
Odor Description:at 0.10 % in propylene glycol. nutty sulfury
Flavor Type: green
green sulfurous
Taste Description: green sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2,5-Dimethylthiophenol
BOC Sciences
For experimental / research use only.
2,5-DIMETHYLTHIOPHENE 95%
Charkit Chemical
DIMETHYLTHIOPHENE, 2,5- D1200
DeLong Chemicals America
2,5-Dimethylthiophene, Kosher
EMD Millipore
For experimental / research use only.
2,5-Dimethylthiophene
Endeavour Specialty Chemicals
2,5-Dimethylthiophene 99% F&F
Speciality Chemical Product Groups
M&U International
2,5-DIMETHYLTHIOPHENE, Kosher
Matrix Scientific
For experimental / research use only.
2,5-Dimethylthiophene, 98%
Penta International
2,5-DIMETHYLTHIOPHENE
R C Treatt & Co Ltd
2,5-Dimethylthiophene
Halal, Kosher
Robinson Brothers
2,5-Dimethylthiophene F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
2,5-Dimethylthiophene, ≥98%
Certified Food Grade Products
Synerzine
2,5-Dimethyl Thiophene
Taytonn
2,5-Dimethylthiophene
TCI AMERICA
For experimental / research use only.
2,5-dimethylthiophene >98.0%(GC)
Tianjin Danjun International
2,5-Dimethyl thiophenol
WholeChem
2,5-Dimethylthiophenol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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-rat LD50 588 mg/kg

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2,5-dimethyl thiophene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.23 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
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 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - 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 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf

Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 2 (FGE.21Rev2): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
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 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

EPI System: View
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12514
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2,5-dimethylthiophene
Chemidplus:0000638028
 
References:
 2,5-dimethylthiophene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12514
Pubchem (sid):134978531
 
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
HMDB (The Human Metabolome Database):HMDB32979
FooDB:FDB010966
Export Tariff Code:2934.99.9000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
coffee
coffee difuran
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
papaya isobutyrate
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
sulfurous
fish thiol
FL/FR
grapefruit menthane
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
1-(2-
thienyl) butanone
FL
coffee
coffee
coffee difuran
FL/FR
2,4-
dimethyl thiazole
FL
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fatty
4-
methyl nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
green
papaya isobutyrate
FL/FR
meaty
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
2-
methyl 3-(methyl thio) furan
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
nutty
nutty thiazole
FL
sulfurous
fish thiol
FL/FR
grapefruit menthane
FL/FR
3-
methyl-2-butane thiol
FL
 
Potential Uses:
FLbeef
FLchicken
FLgarlic
FLnut
FLonion
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 beef grilled beef
Search PMC Picture
 chicken
Search PMC Picture
 garlic bulb
Search Trop Picture
 garlic oil
Search Trop Picture
 onion oil
Search Trop Picture
 papaya mountain papaya - up to 0.01 mg/kg
Search Trop Picture
 shallot
Search Trop Picture
 whiskey - up to 0.0007 mg/kg
Search Picture
 
Synonyms:
2,5-dimethylthiophene
 thiophene, 2,5-dimethyl-
 
 
Notes:
Odorant used in food flavouring
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