thenaldehyde
2-triophenecarboxaldehyde
 
Notes:
Flavour ingredient
  • BOC Sciences
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      Product(s):
      98-03-3 2-Thiophenaldehyde
       
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      Product(s):
      20-34500 2-THIOPHENECARBOXALDEHYDE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W2012 Thiophenecarboxaldehyde
       
  • TCI AMERICA
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      Product(s):
      T0725 2-Thiophenecarboxaldehyde (stabilized with HQ) >98.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 98-03-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-629-8
Nikkaji Web: J37.032K
Beilstein Number: 0105819
MDL: MFCD00005429
CoE Number: 11874
XlogP3: 1.00 (est)
Molecular Weight: 112.15108000
Formula: C5 H4 O S
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Substance not supported by Industry (EFFA, 2009c). 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
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.21600 to 1.22500 @  25.00 °C.
Pounds per Gallon - (est).: 10.118 to 10.193
Refractive Index: 1.58500 to 1.59200 @  20.00 °C.
Boiling Point: 75.00 to  77.00 °C. @ 11.00 mm Hg
Boiling Point: 198.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.368000 mmHg @ 25.00 °C. (est)
Flash Point: 172.00 °F. TCC ( 77.78 °C. )
logP (o/w): 1.020
Soluble in:
 alcohol
 water, 1.44e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Description:
sulfurous
 
 
Flavor Type: cherry
 
 almond bitter almond  cherry  
Taste Description:
benzaldehyde
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2-Thiophenaldehyde
Matrix Scientific
For experimental / research use only.
Thiophene-2-aldehyde, 95+%
Penta International
2-THIOPHENECARBOXALDEHYDE
Santa Cruz Biotechnology
For experimental / research use only.
2-Thiophenecarboxaldehyde
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Thiophenecarboxaldehyde 98%
Synerzine
Thiophenecarboxaldehyde
TCI AMERICA
For experimental / research use only.
2-Thiophenecarboxaldehyde (stabilized with HQ) >98.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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:
oral-mouse LD50  565 mg/kg
(Sharp, 1979)

oral-rat LD50  915 mg/kg
(Sharp, 1979)

oral-mouse LD50  565 mg/kg
National Technical Information Service. Vol. OTS0533616

oral-rat LD50  915 mg/kg
National Technical Information Service. Vol. OTS0533616

Dermal Toxicity:
skin-guinea pig LD50 > 10 ml/kg
National Technical Information Service. Vol. OTS0533616

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for thenaldehyde usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.21 (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
Chewing gum (05.0): --
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
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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 Substance Registry Services (TSCA): 98-03-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7364
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 thiophene-2-carbaldehyde
Chemidplus: 0000098033
RTECS: XM8135000 for cas# 98-03-3
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References:
 thiophene-2-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 98-03-3
Pubchem (cid): 7364
Pubchem (sid): 134970964
Flavornet: 98-03-3
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB29717
FooDB: FDB000911
Export Tariff Code: 2934.10.2000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
almond
almond
bitter almond oil replacerFL/FR
anisic
ortho-acetanisoleFL/FR
ortho-anisaldehydeFL/FR
balsamic
2-acetyl furanFL/FR
(E)-benzyl tiglateFL/FR
bready
 coffee furanoneFL/FR
floral
 acetophenoneFL/FR
 heliotropinFL/FR
 rhodinyl propionateFL/FR
fruity
bitter almond oilFL/FR
 benzaldehydeFL/FR
 benzaldehyde glycrol acetalFL/FR
2-benzofuran carboxaldehydeFL/FR
 bread thiopheneFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
4-hydroxybenzyl alcoholFL/FR
 prunus amygdalus amara seed extractFL/FR
para-tolualdehydeFL/FR
 tolualdehydes (mixed o,m,p)FL/FR
green
 benzaldehyde dimethyl acetalFL/FR
 tiglaldehydeFL/FR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
phenolic
 methyl benzoateFL/FR
 
For Flavor
 
No flavor group found for these
 almond extractFL
almond
bitter almond oil replacerFL/FR
anisic
ortho-anisaldehydeFL/FR
balsamic
(E)-benzyl tiglateFL/FR
caramellic
 almond toffee crunch flavorFL
 almond toffee flavorFL
cherry
 heliotropinFL/FR
chocolate
 chocolate almond fudge flavorFL
 chocolate toffee almond flavorFL
 mocha almond fudge flavorFL
cookie
almond cookie flavorFL
fruity
bitter almond flavorFL
bitter almond oilFL/FR
 amaretto flavorFL
 benzaldehydeFL/FR
 benzaldehyde glycrol acetalFL/FR
 bread thiopheneFL/FR
maraschino cherry flavorFL
 cherry pit flavorFL
 ethyl methyl-para-tolyl glycidateFL/FR
4-hydroxybenzyl alcoholFL/FR
 rhodinyl propionateFL/FR
 tiglaldehydeFL/FR
 tolualdehydes (mixed o,m,p)FL/FR
green
 benzaldehyde dimethyl acetalFL/FR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
nutty
2-acetyl furanFL/FR
3-acetyl-2,5-dimethyl thiopheneFL
roasted almond distillatesFL
 almond distillatesFL
 almond flavorFL
 almond hazelnut flavorFL
 almond isolatesFL
2-benzofuran carboxaldehydeFL/FR
roasted chestnut almond flavorFL
 coffee furanoneFL/FR
 prunus amygdalus amara seed extractFL/FR
phenolic
 methyl benzoateFL/FR
powdery
ortho-acetanisoleFL/FR
 acetophenoneFL/FR
spicy
para-tolualdehydeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 asparagus cooked asparagus - 0.01 mg/kg
Search Trop  Picture
 brandy grape brandy - up to 0.04 mg/kg
Search  PMC Picture
 cheese camembert cheese - 0.4 mg/kg
Search  PMC Picture
 coffee - up to 1.8 mg/kg
Search  PMC Picture
 whiskey malt whiskey - up to 0.03 mg/kg
Search  Picture
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Synonyms:
2-formyl thiophene
2-formylthiophene
2-thenaldehyde
2-thienaldehyde
2-thienylaldehyde
2-thienylcarboxaldehyde
2-thiophen-2-yl-2,3-dihydro-benzo[e][1,3]oxazin-4-one
2-thiophenaldehyde
2-thiophene carboxaldehyde
 thiophene-2-aldehyde
 thiophene-2-carbaldehyde
 thiophene-2-carboxaldehyde
2-thiophenealdehyde
2-thiophenecarbaldehyde
2-thiophenecarboxaldehyde
2-triophenecarboxaldehyde
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Articles:
US Patents: 3,952,024 - Furfurylthioacetone
PubMed: Synthesis, characterization, crystal structure and theoretical study of a compound with benzodiazole ring: antimicrobial activity and DNA binding.
US Patents: 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed: Coverage dependent variation of the adsorption structure of 2-thiophenecarboxaldehyde on the Ge(100)-2 × 1 reconstructed surface.
PubMed: Comparative studies of structural, thermal, optical, and electrochemical properties of azines with different end groups with their azomethine analogues toward application in (opto)electronics.
PubMed: Total synthesis of (-)-isoavenaciolide.
PubMed: Nematicidal activity of 2-thiophenecarboxaldehyde and methylisothiocyanate from caper (Capparis spinosa) against Meloidogyne incognita.
PubMed: Synthesis, spectroscopic studies and crystal structure of the Schiff base ligand L derived from condensation of 2-thiophenecarboxaldehyde and 3,3'-diaminobenzidine and its complexes with Co(II), Ni(II), Cu(II), Cd(II) and Hg(II): Comparative DNA binding studies of L and its Co(II), Ni(II) and Cu(II) complexes.
PubMed: Synthesis, spectral, antimicrobial and antitumor assessment of Schiff base derived from 2-aminobenzothiazole and its transition metal complexes.
PubMed: Adsorption and separation of reactive aromatic isomers and generation and stabilization of their radicals within cadmium(II)-triazole metal-organic confined space in a single-crystal-to-single-crystal fashion.
PubMed: Determination of trace heavy metals in soil and sediments by atomic spectrometry following preconcentration with Schiff bases on Amberlite XAD-4.
PubMed: Structure-Activity Relationships for Some Diamine, Triamine and Schiff Base Derivatives and Their Copper(II) Complexes.
PubMed: Mononuclear metal complexes of organic carboxylic acid derivatives: synthesis, spectroscopic characterization, thermal investigation and antimicrobial activity.
PubMed: In vivo anticancer, anti-inflammatory, and toxicity studies of mixed-ligand Cu(II) complexes of dien and its Schiff dibases with heterocyclic aldehydes and 2-amino-2-thiazoline. Crystal structure of [Cu(dien)(Br)(2a-2tzn)](Br)(H(2)O).
PubMed: The structure and conformations of 2-thiophenecarboxaldehyde obtained from partially averaged dipolar couplings.
PubMed: The unexpected formation of biologically active Cu(II) Schiff mono-base complexes with 2-thiophene-carboxaldehyde and dipropylenetriamine: crystal and molecular structure of CudptaSCl2.
PubMed: Identification of the major metabolite of 2,5-bis(5-hydroxymethyl-2-thienyl)furan (NSC 652287), an antitumor agent, in the S9 subcellular fraction of dog liver cells.
PubMed: Synthesis and biological activity of galactopyranoside derivatives of 4'-demethylepipodophyllotoxin showing VP-16 (etoposide)-like activity.
PubMed: Thiophenes as phenyl bio-isosteres: application in radiopharmaceutical design--I. Dopamine uptake antagonists.
PubMed: Synthesis and structure-activity relationships among glycosidic derivatives of 4'-demethylepipodophyllotoxin and epipodophyllotoxin, showing VM26- and VP16-213-like activities.
PubMed: Suppression of calcific fibrous-fatty plaque formation in rabbits by agents not affecting elevated serum cholesterol levels. The effect of thiophene compounds.
PubMed: Studies on nitrofuran derivatives. 3. Novel self-condensations of 5-nitro-2-furaldehyde and 5-nitro-2-thenaldehyde.
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