| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 497-03-0 |
| ECHA EC Number: | 207-833-0 |
| FDA UNII: | 27ZVE2K81C |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-tiglaldehyde |
| InChI : | InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| Std.InChI: | InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| InChIKey : | ACWQBUSCFPJUPN-HWKANZROBA |
| Std.InChIKey: | ACWQBUSCFPJUPN-HWKANZROSA-N |
| SMILES : | C/C=C(\C)/C=O |
| MDL: | MFCD00006977 |
| Molar Refractivity : | 25.30 ± 0.3 cm3 (est) |
| Parachor : | 223.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.411 ± 0.02 (est) |
| Surface Tension : | 23.1 ± 3.0 dyne/cm (est) |
| Density : | 0.826 ± 0.06 g/cm3 (est) |
| Polarizability : | 10.02 ± 0.5 10-24cm3 (est) |
| 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 |
| DG SANTE Food Flavourings: | 05.095 (E)-2-methylcrotonaldehyde |
| FDA Mainterm (SATF): | 497-03-0 ; 2-METHYL-2-BUTENAL |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86800 to 0.87300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.231 to 7.273 |
| Refractive Index: | 1.44500 to 1.45000 @ 20.00 °C. |
| Boiling Point: | 117.00 to 118.00 °C. @ 760.00 mm Hg |
| Acid Value: | 3.00 max. KOH/g |
| Vapor Pressure: | 17.107000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 70.00 °F. TCC ( 21.11 °C. ) |
| logP (o/w): | 1.065 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.50E+04 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| tiglaldehyde | |
| (Z)-tiglaldehyde | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Tiglic aldehyde 95% |
| Parchem |
| (E)-tiglaldehyde |
| Penta International |
| 2-METHYL-2-BUTENAL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Tiglic aldehyde |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Tiglic aldehyde ≥96% |
| Synerzine |
| 2-Methyl-2-butenal |
| TCI AMERICA |
| For experimental / research use only. |
| trans-2-Methyl-2-butenal >95.0%(GC) |
| WholeChem |
| Tiglic Aldehyde |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-tiglaldehyde usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1700 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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): | 5.03000 | 11.86000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.50000 | 4.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.75000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 4.78000 | 5.00000 | |
| Confectionery (05.0): | 5.00000 | 14.22000 | |
| Chewing gum (05.3): | 2.20000 | 9.56000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 3.79000 | 11.40000 | |
| Bakery wares (07.0): | 6.20000 | 17.17000 | |
| Meat and meat products, including poultry and game (08.0): | 0.79000 | 3.50000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.50000 | 1.75000 | |
| Eggs and egg products (10.0): | 0.01000 | 3.00000 | |
| Sweeteners, including honey (11.0): | 0.51000 | 4.38000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.75000 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.01000 | 5.01000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.43000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 2.00000 | 3.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.50000 | 0.50000 | |
| 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 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):497-03-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5321950 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1989 |
| WGK Germany:3 |
| (E)-2-methylbut-2-enal |
| Chemidplus:0000497030 |
| (E)-2-methylbut-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 497-03-0 |
| Pubchem (cid): | 5321950 |
| Pubchem (sid): | 134977393 |
| Pherobase: | View |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31512 |
| Export Tariff Code: | 2912.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| but-2-enal, (E)-2-methyl- | |
| 2- | butenal, 2-methyl-, (2E)- |
| 2- | butenal, 2-methyl-, (E)- |
| crotonaldehyde, 2-methyl-, (E)- | |
| (E)-alpha,beta- | dimethyl acrolein |
| trans-2,3- | dimethyl acrolein |
| trans-alpha,beta- | dimethyl acrolein |
| (E)-2,3- | dimethylacrolein |
| trans-2,3- | dimethylacrolein |
| 2- | methyl (E)-2-butenal |
| (E)-alpha- | methyl crotonaldehyde |
| trans-2- | methyl crotonaldehyde |
| trans-alpha- | methyl crotonaldehyde |
| (2E)-2- | methyl-2-butenal |
| (E)- | methyl-2-butenal |
| (E)-2- | methyl-2-butenal |
| trans- | methyl-2-butenal |
| trans-2- | methyl-2-butenal |
| 2- | methyl-2-butenal, (E)- |
| 2- | methyl-2-butenal, trans- |
| (E)-2- | methyl-but-2-enal |
| 2- | methylbut-2-en-1-al, (E)- |
| (2E)-2- | methylbut-2-enal |
| (E)-2- | methylbut-2-enal |
| trans-2- | methylbut-2-enal |
| (E)-2- | methylcrotonaldehyde |
| 2- | methylcrotonaldehyde, (E)- |
| tigaldehyde, trans- | |
| trans- | tiglaldehyde |
| trans- | tiglic aldehyde |
