| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 91-61-2 |
| ECHA EC Number: | 202-083-0 |
| FDA UNII: | 0I67838Y8K |
| Category: | flavor and fragrance agents |
| IUPAC Name: | para-methyl tetrahydroquinoline |
| InChI : | InChI=1/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3 |
| Std.InChI: | InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3 |
| InChIKey : | XOKMRXSMOHCNIX-UHFFFAOYAF |
| Std.InChIKey: | XOKMRXSMOHCNIX-UHFFFAOYSA-N |
| SMILES : | CC1=CC2=C(C=C1)NCCC2 |
| MDL: | MFCD00023887 |
| Molar Refractivity : | 46.60 ± 0.3 cm3 (est) |
| Parachor : | 363.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.539 ± 0.02 (est) |
| Surface Tension : | 36.0 ± 3.0 dyne/cm (est) |
| Density : | 0.990 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.47 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 264.24 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.010000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 2.937 (est) |
| Soluble in: | |
| alcohol | |
| water, 176.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| cream | |
| hair spray | |
| powder | |
| shampoo | |
| soap | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| 6-METHYL-1,2,3,4-TETRAHYDROQUINOLINE 95% |
| Lluch Essence |
| TETRAHYDROPARAMETHYL QUINOLINE |
| OQEMA |
| Tetrahydroparamethylquinoline |
| Penta International |
| P-METHYLTETRAHYDROQUINOLINE |
| R C Treatt & Co Ltd |
| Tetrahydro Para Methyl Quinoline |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 6-Methyl-1,2,3,4-tetrahydroquinoline |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 6-Methyl-1,2,3,4-tetrahydroquinoline |
| TCI AMERICA |
| For experimental / research use only. |
| 6-Methyl-1,2,3,4-tetrahydroquinoline >97.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 21/22 - Harmful in contact with skin and if swallowed. 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 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: | |
| oral-rat LD50 500 mg/kg | |
| 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 | |||
| IFRA Critical Effect: | |||
| Potential of nitrosamine formation | |||
| IFRA fragrance material specification: | |||
| The material has been identified for having the potential of forming nitrosamines innitrosating systems. Downstream users therefore have to be notified of the presenceof the material and its potential to be able to consider adequate protective measures. | |||
| View the IFRA Standard | |||
| Recommendation for para-methyl tetrahydroquinoline usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 400 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| 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): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.40000 | 2.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 1.00000 | 5.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 2.00000 | 10.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.20000 | 1.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.20000 | 1.00000 | |
| 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): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
| 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): |
| Flavouring Group Evaluation 34: One tetrahydroquinoline derivative from chemical group 28 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):91-61-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :66678 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 6-methyl-1,2,3,4-tetrahydroquinoline |
| Chemidplus:0000091612 |
| 6-methyl-1,2,3,4-tetrahydroquinoline | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 91-61-2 |
| Pubchem (cid): | 66678 |
| Pubchem (sid): | 135024065 |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2933.40.7050 |
| ChemSpider: | View |
| not found in nature |
| animal quinoline | |
| civettal | |
| p- | methyl tetrahydroquinoline |
| para- | methyl tetrahydroquinoline |
| 6- | methyl-1,2,3,4-tetrahydroquinoline |
| p- | methyltetrahydroquinoline |
| para- | methyltetrahydroquinoline |
| tetra hydro para methyl quinoline | |
| tetrahydro para methyl quinoline | |
| tetrahydro paramethyl quinoline | |
| tetrahydro-4-methyl quinoline | |
| 1,2,3,4- | tetrahydro-6-methyl quinoline |
| 1,2,3,4- | tetrahydro-6-methylquinoline |
| tetrahydro-p-methylquinoline | |
| tetrahydro-para-methyl quinoline | |
| tetrahydroparamethylquinoline |
| None found yet. Try the PubMed Search. |
