| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1113-21-9 |
| ECHA EC Number: | 214-201-8 |
| FDA UNII: | VV41XXJ67L |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-geranyl linalool |
| InChI : | InChI=1/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+ |
| Std.InChI: | InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+ |
| InChIKey : | IQDXAJNQKSIPGB-HQSZAHFGBI |
| Std.InChIKey: | IQDXAJNQKSIPGB-HQSZAHFGSA-N |
| SMILES : | CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C |
| MDL: | MFCD00059363 |
| Molar Refractivity : | 95.63 ± 0.3 cm3 (est) |
| Parachor : | 778.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.488 ± 0.02 (est) |
| Surface Tension : | 30.4 ± 3.0 dyne/cm (est) |
| Density : | 0.876 ± 0.06 g/cm3 (est) |
| Polarizability : | 37.91 ± 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: | 02.150 (E)-geranyllinalool |
| Appearance: | colorless solid (est) |
| Assay: | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87300 to 0.88300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.264 to 7.347 |
| Refractive Index: | 1.48200 to 1.49200 @ 20.00 °C. |
| Melting Point: | 50.00 to 51.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 386.00 to 389.00 °C. @ 760.00 mm Hg |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 7.351 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.006982 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| 3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraene-3-ol |
| Jiangyin Healthway |
| Geranyl Linalool |
| New functional food ingredients |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Geranyllinalool |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Geranyllinalool technical, ≥95% (GC) |
| Synerzine |
| (trans) Geranyl Linalool |
| 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 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 - Wear suitable protective clothing. | |
| 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 > 5000 mg/kg (Moreno, 1982i) oral-mouse LD50 [sex: M,F] 14632 mg/kg (Hoffman-LaRoche, Inc., 1967a) intraperitoneal-mouse LD50 > 2000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 41S, 1992. oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 41S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 41S, 1992. | |
| 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.0080 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2004) | |||
| Recommendation for (E)-geranyl linalool usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0350 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0008 mg/kg/day (IFRA, 2004) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.026 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| 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): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| 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 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
| Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8. View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1113-21-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5365872 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| Chemidplus:0001113219 |
| RTECS:MM0335000 for cas# 1113-21-9 |
| (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1113-21-9 |
| Pubchem (cid): | 5365872 |
| Pubchem (sid): | 135051186 |
| 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 |
| KEGG (GenomeNet): | C20681 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2905.22.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| (E)- | geranyl-linalool |
| (E)- | geranyllinalool |
| 1,6,10,14- | hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E,10E)- |
| 1,6,10,14- | hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E)- |
| 1,6,10,14- | hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)- |
| (E)- | neryl linalool |
| (E,E)-3,7,11,15- | tetramethyl hexadeca-1,6,10,14-tetraen-3-ol |
| (6E,10E)-3,7,11,15- | tetramethyl-1,6,10,14-hexadecatetraen-3-ol |
| E,E-3,7,11,15- | tetramethyl-1,6,10,14-hexadecatetraen-3-ol |
| (6E,10E)-3,7,11,15- | tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| (6E)-3,7,11,15- | tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| (E,E)-3,7,11,15- | tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| None found yet. Try the PubMed Search. |
