| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 56554-53-1 |
| ECHA EC Number: | 260-257-1 |
| FDA UNII: | Search |
| Category: | cosmetic agents, light ester for improved skin and color cosmetics |
| IUPAC Name: | triisononanoin |
| InChI : | InChI=1/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3 |
| Std.InChI: | InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3 |
| InChIKey : | QNESDXMHQYMNGD-UHFFFAOYAJ |
| Std.InChIKey: | QNESDXMHQYMNGD-UHFFFAOYSA-N |
| SMILES : | CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C |
| Molar Refractivity : | 149.09 ± 0.3 cm3 (est) |
| Parachor : | 1274.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.457 ± 0.02 (est) |
| Surface Tension : | 32.0 ± 3.0 dyne/cm (est) |
| Density : | 0.956 ± 0.06 g/cm3 (est) |
| Polarizability : | 57.91 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 516.00 to 517.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 409.00 °F. TCC ( 209.30 °C. ) (est) |
| logP (o/w): | 9.685 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.344e-006 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| American International Chemical, LLC. |
| Triisononanoin |
| Vigon International |
| Isadragol Odor: ROSE, HONEY-LIKE |
| 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: | |||
| cosmetic agents, light ester for improved skin and color cosmetics | |||
| Recommendation for triisononanoin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for triisononanoin flavor usage levels up to: | |||
| not for flavor use. | |||
| 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 :92447 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate |
| Chemidplus:0056554531 |
| 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 92447 |
| Pubchem (sid): | 135049224 |
| (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 |
| emollients | |
| solvents | |
| viscosity controlling agents |
| not found in nature |
| iso | dragol (Symrise) |
| hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester | |
| isodragol (Symrise) | |
| propane-1,2,3-triyl 3,5,5-trimethyl hexanoate | |
| propane-1,2,3-triyl 3,5,5-trimethylhexanoate | |
| propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate) | |
| 2,3-bis[(3,5,5- | trimethylhexanoyl)oxy]propyl 3,5,5-trimethylhexanoate |
| 2,3-bis(3,5,5- | trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate |
