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2-hexyl thiophene
2-hexylthiophene

Supplier Sponsors

Name:2-hexylthiophene
CAS Number: 18794-77-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-579-4
FDA UNII:82479467Q1
Nikkaji Web:J47.701J
MDL:MFCD00022535
CoE Number:11616
XlogP3-AA:4.40 (est)
Molecular Weight:168.30252000
Formula:C10 H16 S
NMR Predictor:Predict (works with chrome or firefox)
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:1764 2-hexylthiophene
FLAVIS Number:15.076 (Old)
DG SANTE Food Flavourings:15.076 2-hexylthiophene
FEMA Number:4137 2-hexylthiophene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):18794-77-9 ; 2-HEXYLTHIOPHENE
 
Physical Properties:
Appearance:colorless to pale yellow liquid to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93000 to 0.93800 @ 20.00 °C.
Pounds per Gallon - (est).: 7.748 to 7.814
Refractive Index:1.49200 to 1.49800 @ 20.00 °C.
Melting Point: 41.00 °C. @ 760.00 mm Hg
Boiling Point: 229.00 to 230.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.155000 mmHg @ 25.00 °C. (est)
Vapor Density:5.7 ( Air = 1 )
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.791 (est)
Soluble in:
 alcohol
 water, 4.831 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
floral fruity gassy green meaty
Odor Description:at 0.10 % in dipropylene glycol. floral fruity gassy green meaty
Odor and/or flavor descriptions from others (if found).
Frutarom
2-HEXYLTHIOPHENE
Odor Description:Floral, Fruity, Gassy, Green, Meaty
Suggested Uses: Bakery, Cranberry, Meat, Savoury
R C Treatt & Co Ltd
2-Hexylthiophene Halal, Kosher
Odor Description:Mild oily, somewhat sulphurous;fried character,on dilution
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-n-Hexylthiophene
Endeavour Specialty Chemicals
2-Hexylthiophene 99% F&F
Speciality Chemical Product Groups
Frutarom
2-HEXYLTHIOPHENE
Odor: Floral, Fruity, Gassy, Green, Meaty
Use: Suggested Uses: Bakery, Cranberry, Meat, Savoury
Penta International
2-HEXYLTHIOPHENE
R C Treatt & Co Ltd
2-Hexylthiophene
Halal, Kosher
Odor: Mild oily, somewhat sulphurous;fried character,on dilution
Robinson Brothers
2-Hexylthiophene F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Hexylthiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Hexylthiophene 97%
Synerzine
2-Hexylthiophene
Taytonn
2-Hexylthiophene
Odor: Floral, Fruity, Gassy, Green, Meaty
TCI AMERICA
For experimental / research use only.
2-Hexylthiophene >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-hexyl thiophene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.46 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/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
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 0.200000.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.500000.50000
confectionery froastings: --
egg products: 1.000001.00000
fats / oils: 0.200000.20000
fish products: 1.000001.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 1.000001.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000001.00000
milk products: --
nut products: --
other grains: --
poultry: 1.000001.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 250.00000250.00000
snack foods: 0.200000.20000
soft candy: --
soups: 1.000001.00000
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): 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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :87793
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-hexylthiophene
Chemidplus:0018794779
 
References:
 2-hexylthiophene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:18794-77-9
Pubchem (cid):87793
Pubchem (sid):135044354
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32329
FooDB:FDB009582
Export Tariff Code:2934.99.4400
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
fatty
(Z)-
oleic acid
FL/FR
fruity
tropical trithiane
FL/FR
green
(Z)-4-
heptenal
FL/FR
For Flavor
alliaceous
allyl disulfide
FL
allyl thiopropionate
FL
cabbage
methyl 2-thiofuroate
FL
fatty
(Z)-
oleic acid
FL/FR
2-
pentyl thiophene
FL
fruity
tropical trithiane
FL/FR
green
(Z)-4-
heptenal
FL/FR
sulfurous
2-
naphthyl mercaptan
FL
 
Potential Uses:
FRcelery
FLchicken
FLcranberry
FLcucumber
FLgreen
FLseafood
 
Occurrence (nature, food, other):note
 beef roasted beef
Search PMC Picture
 cranberry fruit
Search Trop Picture
 guinea hen - up to 0.002 mg/kg
Search PMC Picture
 lamb cooked lamb
Search PMC Picture
 mushroom
Search PMC Picture
 turkey roasted turkey
Search Picture
 
Synonyms:
2-hexylthiophene
2-N-hexylthiophene
 thiophene, 2-hexyl-
 
 
Notes:
Used as a food additive [EAFUS]
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