Articles:
1,3,5-cyclohexanetrione, 6-isovaleryl-2,2,4,4-tetramethyl-
Notes:
None found
| CAS Number: | 567-75-9 |  3D/inchi
|
| FDA UNII: | 2F8XBE046L | |
| Nikkaji Web: | J11.529K | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 266.33714000 | |
| Formula: | C15 H22 O4 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | yellow viscous liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.06880 @ 19.50 °C. |
| Refractive Index: | 1.50000 @ 19.50 °C. |
| Boiling Point: | 146.00 °C. @ 10.00 mm Hg |
| Boiling Point: | 376.00 to 377.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.000004 mmHg @ 25.00 °C. (est) |
| Flash Point: | 341.00 °F. TCC ( 171.60 °C. ) (est) |
| logP (o/w): | 1.885 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.7124 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
hair conditioning skin conditioning |
Suppliers:
| None found |
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: | cosmetic agents | ||
| Recommendation for leptospermone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for leptospermone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3083632 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione | |
| Chemidplus: | 0000567759 |
References:
| 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3083632 |
| Pubchem (sid): | 135229471 |
| Pherobase: | View |
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 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| leptospermum Search Trop Picture | |
| leptospermum scoparium branch/leaf oil new zealand @ 15.54% Data GC Search Trop Picture |
Synonyms:
| 1,3,5- | cyclohexanetrione, 6-isovaleryl-2,2,4,4-tetramethyl- |
| leptospermol | |
| 2,2,4,4- | tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione |
| 6-iso | valeryl-2,2,4,4-tetramethyl-1,3,5-cyclohexane trione |