| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 634-36-6 |
| ECHA EC Number: | 211-207-2 |
| FDA UNII: | MRE1O894FG |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 1,2,3-trimethoxybenzene |
| InChI : | InChI=1/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 |
| Std.InChI: | InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 |
| InChIKey : | CRUILBNAQILVHZ-UHFFFAOYAP |
| Std.InChIKey: | CRUILBNAQILVHZ-UHFFFAOYSA-N |
| SMILES : | COC1=C(C(=CC=C1)OC)OC |
| MDL: | MFCD00008358 |
| Molar Refractivity : | 46.28 ± 0.3 cm3 (est) |
| Parachor : | 377.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.485 ± 0.02 (est) |
| Surface Tension : | 29.8 ± 3.0 dyne/cm (est) |
| Density : | 1.041 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.35 ± 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: | 04.084 1,2,3-trimethoxybenzene |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.11200 @ 25.00 °C. |
| Melting Point: | 47.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 235.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.078000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 1.530 |
| Soluble in: | |
| alcohol | |
| water, 3096 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Beijing Lys Chemicals |
| 1,2,3-Trimethoxybenzene |
| BOC Sciences |
| For experimental / research use only. |
| 1,2,3-Trimethoxybenzene |
| EMD Millipore |
| For experimental / research use only. |
| 1,2,3-Trimethoxybenzene |
| Penta International |
| 1,2,3-TRIMETHOXYBENZENE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,2,3-Trimethoxybenzene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1,2,3-Trimethoxybenzene |
| Synerzine |
| 1,2,3-Trimethoxybenzene |
| TCI AMERICA |
| For experimental / research use only. |
| 1,2,3-Trimethoxybenzene >99.0%(GC) |
| WholeChem |
| 1,2,3-Trimethoxybenzene |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3200 (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): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 3.00000 | 15.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 15.00000 | 75.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf |
| Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (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 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 23, Revision 2 (FGE.23Rev2): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 23, Revision 3 (FGE.23Rev3): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 23, Revision 4 (FGE.23Rev4): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):634-36-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12462 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1,2,3-trimethoxybenzene |
| Chemidplus:0000634366 |
| 1,2,3-trimethoxybenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 634-36-6 |
| Pubchem (cid): | 12462 |
| Pubchem (sid): | 134977710 |
| 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 |
| CHEBI: | View |
| Metabolomics Database: | Search |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB011683 |
| Export Tariff Code: | 2909.30.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| benzene, 1,2,3-trimethoxy- | |
| benzene, trimethoxy- | |
| dimethoxyanisole | |
| methyl syringol | |
| methylsyringol | |
| pyrogallol trimethyl ether | |
| tri-O-methyl pyrogallol | |
| tri-O-methylpyrogallol | |
| 1,2,3- | trimethoxy benzene |
| trimethoxybenzene | |
| 3,4,5- | trimethoxybenzene |
| 1,2,3- | trimethoxybenzol |
