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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.21600 to 1.22500 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 10.118 to 10.193
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| Refractive Index: | 1.58500 to 1.59200 @ 20.00 °C.
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| Boiling Point: | 75.00 to 77.00 °C. @ 11.00 mm Hg
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| Boiling Point: | 198.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.368000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 172.00 °F. TCC ( 77.78 °C. )
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| logP (o/w): | 1.020 |
| Soluble in: |
| | alcohol | | | water, 1.44e+004 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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). |
Cosmetic Information:
Suppliers:
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.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| 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
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| Dermal Toxicity: |
skin-guinea pig LD50 > 10 ml/kg
National Technical Information Service. Vol. OTS0533616
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for thenaldehyde usage levels up to: | | | not for fragrance use.
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| 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 |
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| 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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 0.20000 | 1.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 |
| Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 |
| Processed fruit (04.1): | 0.20000 | 1.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 0.20000 | 1.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 |
| Bakery wares (07.0): | 0.20000 | 1.00000 |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.20000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.50000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 |
| Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
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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
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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
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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
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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
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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
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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
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| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| 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 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
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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3D/inchi