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    General Material Information
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2-thiophene thiol

Chemical Structure

General Material Information

Preferred name 2-thiophene thiol
Trivial Name 2-Thiophenethiol
Short Description 2-thienylmercaptan
Formula C4 H4 S2
CAS Number 7774-74-5
FEMA Number 3062
Flavis Number 15.001
ECHA Number 231-881-1
FDA UNII F3LB1437XQ
Nikkaji Number J101.034D
Beilstein Number 0104650
MDL MFCD00051666
COE Number 478
NMR Predictor External link
JECFA Food Flavoring 1052 2-thienylmercaptan
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7774-74-5 ; 2-THIENYL MERCAPTAN
Synonyms
  • caramel thiol
  • 2-mercaptothiophene
  • 2-sulfanylthiophene
  • 2-thienyl mercaptan
  • alpha- thienyl mercaptan
  • 2-thienylmercaptan
  • alpha- thienylmercaptan
  • 2-thienylthiol
  • 2-thienylthiol 1% in PG
  • thiophene-2-thiol
  • 2-thiophenethiol
  • 2-thiothiophene
  • 2-Thiophenethiol
  • 2-Mercaptothiophene
  • α-Thienyl mercaptan
  • 2-Thienylmercaptan
  • 2-Thienylthiol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

thiophene-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7774-74-5
Pubchem (cid):522674
Pubchem (sid):135264730
Pherobase:View
Publications by Info
FILBERTONE

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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):HMDB29720
FooDB:FDB000914
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 116.20587921143
Specific gravity @ 25 °C
Pounds per Gallon 10.401 to 10.276
Refractive Index 1.618 to 1.632 @ 20 °C
Vapor Pressure 2.302 mmHg @ 25 °C
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 2.1 est
Solubility
dipropylene glycol Yes
water, 750.6 mg/L @ 25 °C (est) Yes
alcohol No

Organoleptic Properties

Odor Type: Caramellic
burnt, caramellic, coffee roasted coffee, coffee
General comment At 0.10 % in dipropylene glycol. burnt caramel roasted coffee
Flavor Type: Coffee
coffee, coffee roasted coffee
General comment Coffee

Occurrences

Potential Uses

Applications
Flavoring purposes Butterscotch, Caramel, Coffee, Roasted, Smoke, Toffee

Safety Information

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 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-thiophene thiol usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.03 (μg/capita/day)
Structure Class: III
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
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 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

Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :522674
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
thiophene-2-thiol
Chemidplus:0007774745