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herbal ketone
General Material Information
| Preferred name | herbal ketone |
| Trivial Name | 3-(Hydroxymethyl)-2-nonanone |
| Short Description | methyl lavender ketone (IFF) |
| Formula | C10 H20 O2 |
| CAS Number | 67801-33-6 |
| ECHA Number | 267-154-0 |
| FDA UNII | 4QZ8NDH82S |
| Nikkaji Number | J35.913K |
| xLogP3-AA | 2.30 (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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 172.26780700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.406 to 7.572 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.423 to 7.589 |
| Refractive Index | 1.439 to 1.444 @ 20 °C |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 1.74 |
| Shelf life | 24 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, 7357 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| acid cleaner | Unspecified |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| fresh, sweet, green, weedy, earthy, herbal | |
| Odor strength | medium |
| Substantivity | 20 hour(s) at 100.00 % |
| Luebke, William tgsc, (1992) | At 100.00 %. fresh sweet green weedy earthy herbal |
| Flavor Type: Cheesy | |
| cheesy, green, fruity, dairy, dirty, buttery | |
| Luebke, William tgsc, (1992) | Cheese green fruity dairy dirty buttery |
| General comment | Cheese green fruity dairy dirty buttery |
Potential Uses
| Applications | |
| Odor purposes | Fern , Floral , Fungus , Green , Herbal , Lavender , Woody |
| Other purposes | Leaf |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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 herbal ketone usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Recommendation for herbal ketone 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):67801-33-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :106823 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-(hydroxymethyl)nonan-2-one |
| Chemidplus:0067801336 |