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bigarade oxide
General Material Information
| Preferred name | bigarade oxide |
| Trivial Name | 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-Hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran |
| Short Description | 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran |
| Formula | C13 H24 O |
| CAS Number | 72429-08-4 |
| ECHA Number | 276-659-5 |
| FDA UNII | Search |
| xLogP3-AA | 3.80 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Other Information
| (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 |
| Export Tariff Code: | 2932.99.0000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 196.33348083496 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.823 to 7.848 |
| Refractive Index | 1.483 to 1.486 @ 20 °C |
| Acid Value | 0.5 max KOH/g |
| Vapor Pressure | 4.8 mmHg @ 20 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.64 est |
| Solubility | |
| alcohol | Yes |
| water, 7.983 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| petitgrain, neroli, grapefruit, woody, herbal, cranberry | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 23 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 10.00 % in dipropylene glycol. petitgrain neroli grapefruit woody herbal cranberry |
Potential Uses
| Applications | |
| Odor purposes | Citrus, Floral, Grapefruit, Herbal, Neroli, Oriental, Petitgrain, Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 | |
Safety in use information
| 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 bigarade oxide usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Recommendation for bigarade oxide flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):72429-08-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3085817 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
| Chemidplus:0072429084 |