| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2349-14-6 |
| FDA UNII: | Search |
| Category: | flavor and fragrance agents |
| IUPAC Name: | methyl geranate |
| InChI : | InChI=1/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3 |
| Std.InChI: | InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3 |
| InChIKey : | ACOBBFVLNKYODD-UHFFFAOYAH |
| Std.InChIKey: | ACOBBFVLNKYODD-UHFFFAOYSA-N |
| SMILES : | CC(=CCCC(=CC(=O)OC)C)C |
| MDL: | MFCD00036571 |
| Molar Refractivity : | 54.58 ± 0.3 cm3 (est) |
| Parachor : | 461.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.457 ± 0.02 (est) |
| Surface Tension : | 28.0 ± 3.0 dyne/cm (est) |
| Density : | 0.909 ± 0.06 g/cm3 (est) |
| Polarizability : | 21.63 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 247.40 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 229.00 °F. TCC ( 109.60 °C. ) (est) |
| logP (o/w): | 3.970 (est) |
| Soluble in: | |
| water, 21.24 mg/L @ 25 °C (est) | |
| None found |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Methyl Geranate |
| Preferred SDS: View | |
| 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 | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl 3,7-dimethylocta-2,6-dienoate |
| methyl 3,7-dimethylocta-2,6-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 2349-14-6 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| methyl 3,7-dimethyl-2,6-octadienoate | |
| methyl 3,7-dimethylocta-2,6-dienoate | |
| methyl geraniate | |
| 2,6- | octadienoic acid, 3,7-dimethyl-, methyl ester |
