leptospermone
1,3,5-cyclohexanetrione, 6-isovaleryl-2,2,4,4-tetramethyl-
Identification
| Name | leptospermone |
| IUPAC | 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione |
| CAS Number | 567-75-9 |
| FDA UNII | 2F8XBE046L |
| Molecular Formula | C15 H22 O4 |
| Molecular Weight | 266.33714000 |
| Nikkaji Number | J11.529K |
Regulatory
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, 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 |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | hair conditioning |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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. |
No supplier data available
Potential Uses
Natural Occurrence
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
PubMed:
Novel bacterial bioassay for a high-throughput screening of 4-hydroxyphenylpyruvate dioxygenase inhibitors.
PubMed:
In planta mechanism of action of leptospermone: impact of its physico-chemical properties on uptake, translocation, and metabolism.
PubMed:
Leptospirosis outbreak in Sri Lanka in 2008: lessons for assessing the global burden of disease.
PubMed:
Beta-triketone inhibitors of plant p-hydroxyphenylpyruvate dioxygenase: modeling and comparative molecular field analysis of their interactions.
PubMed:
Comparative study on the cytotoxicity of different Myrtaceae essential oils on cultured vero and RC-37 cells.
PubMed:
Acaricidal activity of triketone analogues derived from Leptospermum scoparium oil against house-dust and stored-food mites.
PubMed:
p-Hydroxyphenylpyruvate dioxygenase is a herbicidal target site for beta-triketones from Leptospermum scoparium.
PubMed:
Virucidal activity of a beta-triketone-rich essential oil of Leptospermum scoparium (manuka oil) against HSV-1 and HSV-2 in cell culture.
PubMed:
2-Hydroxyflavanones from Leptospermum polygalifolium subsp. polygalifolium Equilibrating sets of hemiacetal isomers.
PubMed:
beta-triketones from myrtaceae: isoleptospermone from leptospermum scoparium and papuanone from corymbia dallachiana
PubMed:
A synthesis of leptospermone.