theaspirone
6,9-epoxy-4-megastigmen-3-one
Identification
| Name | theaspirone |
| IUPAC | 2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one |
| CAS Number | 19377-59-4 |
| FDA UNII | Search |
| Molecular Formula | C13 H20 O2 |
| Molecular Weight | 208.30080000 |
| Nikkaji Number | J3.356.052D |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 305.00 to 306.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | 258.00 °F. TCC ( 125.60 °C. ) (est) |
| logP (o/w) | 2.291 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
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 | natural substances and extractives |
| Recommendation for theaspirone usage levels up to | not for fragrance use. |
| Recommendation for theaspirone flavor usage levels up to | not for flavor use. |
No supplier data available
Potential Uses
Natural Occurrence
Synonyms
6,9-
epoxy-4-megastigmen-3-one
2,6,10,10-
tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one
3,6,10,10-
tetramethyl-4-oxaspiro[4.5]dec-6-en-8-one
Google Patents:
Enhancement of the flavor of foodstuffs
PubMed:
Syntheses of Theaspirone and Vitispirane via Palladium(II)-Catalyzed Oxaspirocyclization.
PubMed:
Progress in synthesis of sensory important trace components of essential oils and natural flavours.
PubMed:
Isolation and structure elucidation of theaspirone, a component of tea essential oil.