| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 71648-18-5 |
| ECHA EC Number: | 275-746-5 |
| FDA UNII: | Search |
| Category: | flavor and fragrance agents |
| IUPAC Name: | neryl octanoate |
| InChI : | InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14- |
| Std.InChI: | InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14- |
| InChIKey : | YYBMOGCOPQVSLQ-VKAVYKQEBE |
| Std.InChIKey: | YYBMOGCOPQVSLQ-VKAVYKQESA-N |
| SMILES : | CCCCCCCC(=O)OC/C=C(/C)\CCC=C(C)C |
| Molar Refractivity : | 87.01 ± 0.3 cm3 (est) |
| Parachor : | 739.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.462 ± 0.02 (est) |
| Surface Tension : | 30.0 ± 3.0 dyne/cm (est) |
| Density : | 0.887 ± 0.06 g/cm3 (est) |
| Polarizability : | 34.49 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 364.00 to 365.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000016 mmHg @ 25.00 °C. (est) |
| Flash Point: | 215.00 °F. TCC ( 101.50 °C. ) (est) |
| logP (o/w): | 6.961 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.007307 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| None found |
| 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 |
| Laboratory Chemical Safety Summary :5352767 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(2Z)-3,7-dimethylocta-2,6-dienyl] octanoate |
| Chemidplus:0071648185 |
| [(2Z)-3,7-dimethylocta-2,6-dienyl] octanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352767 |
| Pubchem (sid): | 135249094 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| (Z)-3,7- | dimethyl octa-2,6-dienyl octanoate |
| (2Z)-3,7- | dimethylocta-2,6-dien-1-yl octanoate |
| (Z)-3,7- | dimethylocta-2,6-dienyl octanoate |
| [(2Z)-3,7- | dimethylocta-2,6-dienyl] octanoate |
| (Z)- | geranyl octanoate |
| octanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester |
