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

2-butyl-5-ethyl thiophene
thiophene, 2-butyl-5-ethyl-

Supplier Sponsors

CAS Number: 54411-06-2Picture of molecule3D/inchi
Nikkaji Web:J100.328C
MDL:MFCD00053118
CoE Number:11596
XlogP3-AA:4.20 (est)
Molecular Weight:168.30252000
Formula:C10 H16 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (EFSA, 2011).
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
 
Physical Properties:
Appearance:colorless to pale yellow solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 54.00 °C. @ 760.00 mm Hg
Boiling Point: 231.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.182000 mm/Hg @ 25.00 °C. (est)
Flash Point: 141.00 °F. TCC ( 60.56 °C. )
logP (o/w): 4.942 (est)
Soluble in:
 alcohol
 water, 4.325 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity berry earthy
Odor Description:at 100.00 %. fruity berry earthy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Butyl-5-ethylthiophene
Endeavour Specialty Chemicals
2-Butyl-5-ethylthiophene 99% F&F
Speciality Chemical Product Groups
R C Treatt & Co Ltd
2-Butyl-5-ethylthiophene
Robinson Brothers
2-Butyl-5-ethylthiophene F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-n-Butyl-5-ethylthiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Butyl-5-ethylthiophene
 
Safety Information:
Preferred SDS: View
 
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-butyl-5-ethyl thiophene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (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

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 :521504
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-butyl-5-ethylthiophene
 
References:
 2-butyl-5-ethylthiophene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):521504
Pubchem (sid):10526368
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
pine needle absolute
FL/FR
berry
blackberry infusions
FL/FR
blueberry infusions
FL/FR
black
currant infusions
FL/FR
raspberry essence
FL/FR
raspberry infusions
FL/FR
rubus fruticosus fruit extract
FL/FR
camphoreous
3-
benzylidene-2-butanone
FL/FR
beta-homo
cyclocitral
FL/FR
ethereal
propyl formate
FL/FR
fermented
valeraldehyde
FL/FR
floral
dihydro-alpha-ionone
FL/FR
beta-
ionone
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
blueberry essence
FL/FR
boysenberry essence
FL/FR
butyl hexanoate
FL/FR
red
currant essence
FL/FR
black
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
dihydroactinidolide
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
filbert hexenone
FL/FR
heliotropyl isobutyrate
FL/FR
beta-
ionone epoxide
FL/FR
maltyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
3-
nonen-2-one
FL/FR
red
raspberry essence
FL/FR
black
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
green
thiogeraniol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
mentholic
menthyl acetate racemic
FL/FR
soapy
ambrettolide
FL/FR
spicy
black
currant bud absolute
FL/FR
sulfurous
blackberry thiophenone
FL/FR
waxy
(E)-2-
octen-1-yl butyrate
FL/FR
For Flavor
No flavor group found for these
allyl tiglate
FL
3-
benzylidene-2-butanone
FL/FR
blackberry thiophenone
FL/FR
dihydroactinidolide
FL/FR
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
pine needle absolute
FL/FR
berry
berry
blackberry infusions
FL/FR
blueberry essence
FL/FR
blueberry infusions
FL/FR
black
currant infusions
FL/FR
dihydro-alpha-ionone
FL/FR
maltyl butyrate
FL/FR
raspberry essence
FL/FR
raspberry infusions
FL/FR
rubus fruticosus fruit extract
FL/FR
rubus idaeus fruit extract
FL
cooling
beta-homo
cyclocitral
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
boysenberry essence
FL/FR
butyl hexanoate
FL/FR
black
currant essence
FL/FR
red
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
ethyl (E)-2-methyl-2-pentenoate
FL
ethyl 3-oxohexanoate
FL
ethyl methyl-para-tolyl glycidate
FL/FR
filbert hexenone
FL/FR
furfuryl isovalerate
FL
heliotropyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
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
herbal
barosma betulina leaf oil
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
soapy
ambrettolide
FL/FR
spicy
black
currant bud absolute
FL/FR
winey
valeraldehyde
FL/FR
woody
beta-
ionone
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 potato baked potato
Search Trop Picture
 
Synonyms:
2-butyl-5-ethylthiophene
 thiophene, 2-butyl-5-ethyl-
 

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Notes:
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