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herbal acetal
General Material Information
| Preferred name | herbal acetal |
| Trivial Name | 2-Butyl-4,4,6-trimethyl-1,3-dioxane |
| Short Description | herboxane (Givaudan) |
| Formula | C11 H22 O2 |
| CAS Number | 54546-26-8 |
| ECHA Number | 259-210-8 |
| FDA UNII | Search |
| Nikkaji Number | J266.909I |
| xLogP3-AA | 3.10 (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 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 186.29473876953 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.372 to 74.057 |
| Refractive Index | 1.427 to 1.431 @ 20 °C |
| Boiling Point | 206 to 207°C @ 760 mm Hg |
| Vapor Pressure | 0.33 mmHg @ 25 °C |
| Flash Point TCC Value | 74.44 °C TCC |
| logP (o/w) | 3.265 est |
| Solubility | |
| alcohol | Yes |
| water, 68.81 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, spicy, chamomile, green, basil | |
| Odor strength | medium |
| Substantivity | < 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 100.00 %. herbal spice chamomile green basil |
| Flavor Type: Herbal | |
| herbal, green, spicy, juniper, nutmeg, allspice | |
| Luebke, William tgsc, (1985) | Herbal green spicy juniper nutmeg allspice |
Potential Uses
| Applications | |
| Odor purposes | Amber , Balsam , Chamomile , Herbal , Musk , Oriental , Pine , Spice |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 15S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 15S, 1992. | |
| 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 herbal acetal usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| Recommendation for herbal acetal 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):54546-26-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :94569 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-butyl-4,4,6-trimethyl-1,3-dioxane |
| Chemidplus:0054546268 |