| Preferred name | isobutyl ionone |
| Trivial Name | (E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one |
| Short Description | 1-hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| Formula | C16 H26 O |
| CAS Number | 70092-23-8 |
| CAS Number | 99948-88-6 |
| ECHA Number | 274-309-6 |
| FDA UNII | Search |
| Nikkaji Number | J318.118I |
| xLogP3-AA | 4.20 (est) |
| NMR Predictor | External link |
| Synonyms |
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| 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 |
| (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: | 2914.23.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| BOC Sciences |
| Material listed in food chemical codex | No |
| Molecular weight | 234.38241577148 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.447 to 7.614 |
| Refractive Index | 1.485 to 1.5 @ 20 °C |
| Vapor Pressure | 0.00046 mmHg @ 25 °C |
| Flash Point TCC Value | 104.44 °C TCC |
| logP (o/w) | 5.033 est |
| Solubility | |
| alcohol | Yes |
| water, 0.3956 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Woody | |
| woody, vetiver, earthy, rooty | |
| General comment | At 100.00 %. woody vetiver earthy rooty |
| (data available) |
| 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 isobutyl ionone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for isobutyl ionone 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):70092-23-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6437739 |
| National Institute of Allergy and Infectious Diseases:Data |
| (E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one |
| Chemidplus:0070092238 |
| (Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one |
| Chemidplus:099948886 |