| Trivial Name | cassis cyclohexene |
| Short Description | cassiffix (IFF) |
| Formula | C16 H26 O |
| CAS Number | 139539-66-5 |
| CAS Number | 139539-67-6 |
| CAS Number | 426218-78-2 |
| ECHA Number | 422-040-1 |
| FDA UNII | Search |
| Synonyms |
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| Google Scholar | Start search |
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| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
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| NCBI | Start search |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2932.99.0000 |
| Material listed in food chemical codex | No |
| Molecular weight | 234.38241577148 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.155 to 8.221 |
| Refractive Index | 1.499 to 1.504 @ 20 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.66 |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
| Odor Type: Floral | |
| herbal, fruity, currant bud black currant bud, green, berry | |
| Odor strength | medium |
| Substantivity | 24 hour(s) at 100.00 % |
| Luebke, William tgsc, (2007) | At 100.00 %. herbal fruity cassis green berry |
| Cassis notes are very important in perfumery and are mostly associated with ingredients containing a sulfur atom. The discovery of Cassiffix ® was serendipitous in nature. IFF R&D were aiming for synthesis of novel cyclic ethers with oxabicyclooctane structures anticipating an amber odor based on the campholenic backbone. It turned out that the Cassiffix ® structure had a Cassis odor. It is one of the few Cassis ingredients that are long-lasting as most Cassis notes are topnotes. | A non-sulfur substantive fruity, green, cassis note. Gives sparkle to a wide range of citrus fragrances |
| Applications | |
| Odor purposes | Berry , Citrus , Currant bud absolute replacer , Floral , Fruit , Herbal |
| Flavoring purposes | Currant bud absolute replacer , Tropical |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 - Wear suitable protective clothing. | |
| 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: | |
| oral-rat LD50 > 2000 mg/kg Cassis notes are very important in perfumery and are mostly associated with ingredients containing a sulfur atom. The discovery of Cassiffix® was serendipitous in nature. IFF R&D were aiming for synthesis of novel cyclic ethers with oxabicyclooctane structures anticipating an amber odor based on the campholenic backbone. It turned out that the Cassiffix® structure had a Cassis odor. It is one of the few Cassis ingredients that are long-lasting as most Cassis notes are topnotes. | |
| 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 cassis cyclohexene usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for cassis cyclohexene flavor usage levels up to: | |||
| not for flavor use. | |||
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):139539-66-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| National Institute of Allergy and Infectious Diseases:Data |
| Chemidplus:0426218782 |