| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 17610-24-1 |
| ECHA EC Number: | 241-585-4 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | vernolide |
| InChI : | InChI=1/C17H24O/c1-11-9-14-15(10-13(11)12(2)18)17(5,6)8-7-16(14,3)4/h9-10H,7-8H2,1-6H3 |
| Std.InChI: | InChI=1S/C17H24O/c1-11-9-14-15(10-13(11)12(2)18)17(5,6)8-7-16(14,3)4/h9-10H,7-8H2,1-6H3 |
| InChIKey : | QZADYGNSQCABPT-UHFFFAOYAB |
| Std.InChIKey: | QZADYGNSQCABPT-UHFFFAOYSA-N |
| SMILES : | CC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C |
| MDL: | verdoxan |
| Molar Refractivity : | 76.53 ± 0.3 cm3 (est) |
| Parachor : | 622.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.498 ± 0.02 (est) |
| Surface Tension : | 32.4 ± 3.0 dyne/cm (est) |
| Density : | 0.936 ± 0.06 g/cm3 (est) |
| Polarizability : | 30.34 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 347.00 to 348.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 295.00 °F. TCC ( 146.30 °C. ) (est) |
| logP (o/w): | 4.527 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.2202 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: | |||
| 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 vernolide 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):17610-24-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :87186 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| Chemidplus:0017610241 |
| 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 87186 |
| Pubchem (sid): | 135043484 |
| (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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| not found in nature |
| ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)- | |
| 1-(3,5,5,8,8- | pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one |
| 1-(3,5,5,8,8- | pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone |
| 1-(3,5,5,8,8- | pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone |
| 1-(5,6,7,8- | tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)ethan-1-one |
| 1-(5,6,7,8- | tetrahydro-3',5',5',8',8'-pentamethyl-2-naphthalenyl)-ethanone |
| 5',6',7',8'- | tetrahydro-3',5',5',8',8'-pentamethyl-2'-acetonaphthone |
