| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 59219-71-5 |
| ECHA EC Number: | 261-665-2 |
| FDA UNII: | Search |
| Category: | emollients |
| IUPAC Name: | isononyl isononanoate |
| InChI : | InChI=1/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3 |
| Std.InChI: | InChI=1S/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3 |
| InChIKey : | UIVPNOBLHXUKDX-UHFFFAOYAI |
| Std.InChIKey: | UIVPNOBLHXUKDX-UHFFFAOYSA-N |
| SMILES : | CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C |
| MDL: | MFCD03791105 |
| Molar Refractivity : | 87.06 ± 0.3 cm3 (est) |
| Parachor : | 757.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.440 ± 0.02 (est) |
| Surface Tension : | 27.8 ± 3.0 dyne/cm (est) |
| Density : | 0.862 ± 0.06 g/cm3 (est) |
| Polarizability : | 34.51 ± 0.5 10-24cm3 (est) |
| Assay: | 70.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 285.00 to 288.00 °C. @ 760.00 mm Hg (est) |
| Acid Value: | 1.00 max. KOH/g |
| Saponification Value: | 185.00 to 200.00 |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 277.00 °F. TCC ( 136.30 °C. ) (est) |
| logP (o/w): | 7.098 (est) |
| Soluble in: | |
| water, 0.007668 mg/L @ 25 °C (est) | |
| 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: | |||
| emollients | |||
| Recommendation for isononyl isononanoate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for isononyl isononanoate flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):59219-71-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :100986 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate |
| Chemidplus:0059219715 |
| 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 100986 |
| Pubchem (sid): | 135351302 |
| (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 |
| ChemSpider: | View |
| None Found |
| antistatic agents | |
| emollients |
| not found in nature |
| hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester | |
| 3,5,5- | trimethyl hexyl 3,5,5-trimethyl hexanoate |
| 3,5,5- | trimethyl-1-hexyl 3,5,5-trimethylhexanoate |
| 3,5,5- | trimethylhexyl 3,5,5-trimethylcaproat |
| 3,5,5- | trimethylhexyl 3,5,5-trimethylhexanoate |
| None found yet. Try the PubMed Search. |
