| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1339119-15-1 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | octahydro-4,7-methano-1H-indene-5-acetaldehyde |
| InChI : | InChI=1/C12H18O/c13-5-4-8-6-9-7-12(8)11-3-1-2-10(9)11/h5,8-12H,1-4,6-7H2 |
| Std.InChI: | InChI=1S/C12H18O/c13-5-4-8-6-9-7-12(8)11-3-1-2-10(9)11/h5,8-12H,1-4,6-7H2 |
| InChIKey : | BFTAXJRKNXWMMX-UHFFFAOYAE |
| Std.InChIKey: | BFTAXJRKNXWMMX-UHFFFAOYSA-N |
| SMILES : | C1CC2C(C1)C3CC2CC3CC=O |
| Molar Refractivity : | 51.73 ± 0.3 cm3 (est) |
| Parachor : | 430.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.505 ± 0.02 (est) |
| Surface Tension : | 37.3 ± 3.0 dyne/cm (est) |
| Density : | 1.022 ± 0.06 g/cm3 (est) |
| Polarizability : | 20.50 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 272.40 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 249.00 °F. TCC ( 120.30 °C. ) (est) |
| logP (o/w): | 3.270 (est) |
| Soluble in: | |
| water, 149.7 mg/L @ 25 °C (est) | |
| None found |
| Ernesto Ventós |
| AQUAFLORA TOCO? IFF |
| IFF |
| Aquaflora™ Odor: A nice floral Muguet note with a fresh green, aquatic naturalcy Use: Aquaflora gives a distinct floralcy by significantly increasing the body of fragrances. |
| 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: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for octahydro-4,7-methano-1H-indene-5-acetaldehyde 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):1339119-15-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :54159794 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-(8-tricyclo[5.2.1.02,6]decanyl)acetaldehyde |
| Chemidplus:1339119151 |
| 2-(8-tricyclo[5.2.1.02,6]decanyl)acetaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 54159794 |
| Pubchem (cas): | 1339119-15-1 |
| (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 |
| not found in nature |
| aquaflora (IFF) | |
| 4,7- | methano-1H-indene-5-acetaldehyde, octahydro- |
| tricyclo[5.2.1.02,6]dec-8-ylacetaldehyde | |
| 2-(8- | tricyclo[5.2.1.02,6]decanyl)acetaldehyde |
