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

2-pentyl thiophene
2-pentylthiophene

Supplier Sponsors

Name:2-pentylthiophene
CAS Number: 4861-58-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-465-9
FDA UNII:L79LOS1ZKM
Nikkaji Web:J45.629B
MDL:MFCD00041017
CoE Number:11634
XlogP3:4.30 (est)
Molecular Weight:154.27558000
Formula:C9 H14 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Register name to be changed to 2-Pentylthiophene (EFFA). The former incorrect name sec-pentylthiophene has been changed.
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2106 2-pentylthiophene
FLAVIS Number:15.096 (Old)

15.096 (Old)
DG SANTE Food Flavourings:15.096 2-pentylthiophene

15.096 sec-pentylthiophene
FEMA Number:4387 2-pentylthiophene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-PENTYLTHIOPHENE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94200 to 0.94900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.838 to 7.897
Refractive Index:1.49300 to 1.50100 @ 20.00 °C.
Boiling Point: 96.00 °C. @ 30.00 mm Hg
Boiling Point: 201.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.422000 mm/Hg @ 25.00 °C. (est)
Vapor Density:5.3 ( Air = 1 )
Flash Point: 170.00 °F. TCC ( 76.67 °C. )
logP (o/w): 4.282 (est)
Soluble in:
 alcohol
 water, 14.71 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
fatty chicken coup cranberry hazelnut roasted hazelnut corn barley roasted barley fermented meaty bloody
Odor Description:at 1.00 % in propylene glycol. fatty chicken coup cranberry roasted hazelnut corn roasted barley fermented meaty bloody
Odor sample from: R C Treatt and Co Ltd
Flavor Type: fatty
fatty chicken coup tropical nut flesh barley roasted barley fruity fermented minty
Taste Description: fatty chicken coup tropical nut flesh roasted barley fruity fermented minty
Odor and/or flavor descriptions from others (if found).
Frutarom
2-PENTYLTHIOPHENE
Odor Description:sweet fruit
Suggested Uses: Mango, Pineapple, Tropical Fruits
R C Treatt & Co Ltd
2-Pentylthiophene Halal, Kosher
Odor Description:fruity, slightly fatty, cranberry
 
Cosmetic Information:
None found
 
Suppliers:
Ambles Nature et Chimie
2-PENTYL THIOPHENE
Anhui Suzhou Jinli Aromatic Chemicals
2-Pentyl Thiophene
Augustus Oils
2 Pentyl Thiophene
Services
Beijing Lys Chemicals
2-Pentylthiophene
BOC Sciences
For experimental / research use only.
2-Pentylthiophene
Carbosynth
For experimental / research use only.
2-Pentylthiophene
Charkit Chemical
PENTYLTHIOPHENE, 2-
Endeavour Specialty Chemicals
2-Pentylthiophene 98% F&F
Speciality Chemical Product Groups
Frutarom
2-PENTYLTHIOPHENE
Odor: sweet fruit
Use: Suggested Uses: Mango, Pineapple, Tropical Fruits
Jinan Enlighten Chemical Technology(Wutong Aroma )
2-Pentyl thiophene, Kosherk
Penta International
2-PENTYLTHIOPHENE, Kosher
R C Treatt & Co Ltd
2-Pentylthiophene
Halal, Kosher
Odor: fruity, slightly fatty, cranberry
Robinson Brothers
2-Pentylthiophene F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Pentylthiophene
Synerzine
2-Pentylthiophene
Taytonn
2-Pentylthiophene
TCI AMERICA
For experimental / research use only.
2-Pentylthiophene >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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 37/39 - Wear suitable 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-pentyl thiophene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.60 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (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: 23
 average usual ppmaverage maximum ppm
baked goods: 0.200001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.010001.00000
chewing gum: --
condiments / relishes: 0.100001.00000
confectionery froastings: --
egg products: 0.300001.00000
fats / oils: 0.100001.00000
fish products: 0.200001.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.200001.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100001.00000
milk products: --
nut products: --
other grains: --
poultry: 0.100001.00000
processed fruits: --
processed vegetables: 0.010001.00000
reconstituted vegetables: 0.010001.00000
seasonings / flavors: 1.0000050.00000
snack foods: 0.100001.00000
soft candy: --
soups: 0.200001.00000
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): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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 Substance Registry Services (TSCA):4861-58-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20995
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-pentylthiophene
Chemidplus:0004861589
 
References:
 2-pentylthiophene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):20995
Pubchem (sid):134984665
Flavornet:4861-58-9
 
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):HMDB40240
FooDB:FDB019955
YMDB (Yeast Metabolome Database):YMDB01514
Export Tariff Code:2934.99.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
iso
valeraldehyde
FL/FR
alliaceous
dimethyl trisulfide
FL/FR
burnt
rum ether
FL/FR
coconut
delta-
undecalactone
FL/FR
coffee
coffee difuran
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
decyl propionate
FL/FR
fatty
allyl decanoate
FL/FR
iso
butyl undecylenate
FL/FR
coconut absolute
FL/FR
2,4-
decadien-1-ol
FL/FR
(S)-gamma-
decalactone
FL/FR
(R)-gamma-
decalactone
FL/FR
dodecyl butyrate
FL/FR
ethyl undecylenate
FL/FR
fruity
allyl cyclohexyl butyrate
FL/FR
(S)-gamma-
dodecalactone
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
methyl 3-nonenoate
FL/FR
octyl heptanoate
FL/FR
green
galbanum decatriene
FL/FR
herbal
benzyl octanoate
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfuryl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
tobacco
methyl benzoxole
FL/FR
waxy
(Z)-4-
decen-1-ol
FL/FR
heptyl octanoate
FL/FR
propyl decanoate
FL/FR
winey
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
allyl cyclohexyl butyrate
FL/FR
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
benzyl octanoate
FL/FR
1,2-
butane dithiol
FL
iso
butyl undecylenate
FL/FR
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cocos nucifera water
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
(R)-gamma-
decalactone
FL/FR
(S)-gamma-
decalactone
FL/FR
(Z)-4-
decen-1-ol
FL/FR
decyl propionate
FL/FR
2,5-
diethyl thiazole
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
(S)-gamma-
dodecalactone
FL/FR
dodecyl butyrate
FL/FR
2,3-
epoxyoctanal
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
ethyl 5-hydroxyoctanoate
FL/FR
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
2-
hexanol
FL/FR
massoia bark oil
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
2-
methyl-1-butane thiol
FL
4-
methyl-2-pentenoic acid
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
2-
methyl-3-pentenoic acid
FL/FR
1,9-
nonane dithiol
FL
3,5-
octadien-2-one
FL
octyl heptanoate
FL/FR
oenanthic ether
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL
1,3-
propane dithiol
FL
propyl 2-methyl-3-furyl disulfide
FL
propyl decanoate
FL/FR
iso
propyl disulfide
FL
thiazole
FL
3-
thienyl mercaptan
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
alliaceous
1,3-
butane dithiol
FL
dimethyl trisulfide
FL/FR
3-
tetrahydrothiophenone
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
chemical
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
coconut
(R)-
massoia lactone
FL
coffee
coffee difuran
FL/FR
creamy
delta-
undecalactone
FL/FR
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
coconut absolute
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadienal
FL
ethyl undecylenate
FL/FR
chicken
fat flavor
FL
4-
methyl nonanoic acid
FL/FR
2,4-
nonadienal
FL
2,4-
octadien-1-ol
FL
2,4-
undecadienal
FL
fruity
allyl decanoate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
iso
valeraldehyde
FL/FR
green
galbanum decatriene
FL/FR
methyl 2-undecynoate
FL
3-(5-
methyl-2-furyl) butanal
FL
4-
penten-1-yl acetate
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
benzothiazole
FL/FR
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
4-
furfuryl thio-2-pentanone
FL
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
milky
gamma-
butyrolactone
FL/FR
musty
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
nutty
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
methyl benzoxole
FL/FR
2-
methyl pyrazine
FL/FR
nutty thiazole
FL
onion
furfuryl isopropyl sulfide
FL
methionol
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
hexyl mercaptan
FL
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N-(
heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
sulfurous
2,3-
butane dithiol
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
vegetable
tyramine
FL
waxy
heptyl octanoate
FL/FR
 
Potential Uses:
FLbeef
FLcheese
FLchicken
 fruit
FLpork
FLtropical
 
Occurrence (nature, food, other):note
 beef roast beef
Search PMC Picture
 chicken roasted chicken
Search PMC Picture
 chicken roasted chicken - 0.001 mg/kg
Search PMC Picture
 potato french fries
Search PMC Picture
 soybean
Search Trop Picture
 
Synonyms:
2-N-amyl thiophene
sec-amyl thiophene
2-N-amylthiophene
sec-amylthiophene
1-methyl butyl thiophene
1-methylbutyl thiophene
sec-pentyl thiophene
2-pentylthiophene
2-N-pentylthiophene
sec-pentylthiophene
1-(2-thienyl)pentane
 thiophene, 2-pentyl-
 
 
Notes:
Cysteine-derived Maillard product. Constit. of cooked pork, beef or lamb, yeast extract and ripe bell peppers
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