valeranone
(4aR,7S,8aS)-7-isopropyl-4a,8a-dimethyl decalin-1-one
Identification
| Name | valeranone |
| IUPAC | (4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one |
| CAS Number | 55528-90-0 |
| FDA UNII | Search |
| Molecular Formula | C15 H26 O |
| Molecular Weight | 222.37142000 |
| Nikkaji Number | J14.836I |
Regulatory
Physical Properties
| Assay | 92.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 287.00 to 288.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 248.00 °F. TCC ( 120.00 °C. ) |
| logP (o/w) | 4.434 (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 valeranone usage levels up to | not for fragrance use. |
| Recommendation for valeranone flavor usage levels up to | not for flavor use. |
No supplier data available
Potential Uses
Natural Occurrence
Synonyms
(4aR,7S,8aS)-4a,8a-
dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
(4aalpha,7beta,8aalpha)-
octahydro-4a,8a-dimethyl-7-(1-methyl ethyl)-1(2H)-naphthalenone
(4aR,7S,8aS)-7-iso
propyl-4a,8a-dimethyl decalin-1-one
yatamanson
PubMed:
Essential oil composition and in vivo volatiles emission by different parts of Coleostephus myconis capitula.
PubMed:
Kanokonyl acetate-rich Indian valerian from northwestern Himalaya.
PubMed:
Sesquiterpenoids from Valeriana tangutica.
PubMed:
Comparative study on volatile components of Nardostachys rhizome.
PubMed:
Compositional diversity of terpenoids in the Himalayan Valeriana genera.
PubMed:
DFT and NMR parameterized conformation of valeranone.
PubMed:
Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation.
PubMed:
Antispasmodic effects of valeriana compounds: an in-vivo and in-vitro study on the guinea-pig ileum.
PubMed:
[Isolation and pharmacodynamic activity of the sesquiterpene valeranone from Nardostachys jatamansi DC].
PubMed:
Clinical trial of jatamansone (syn: Valeranone) in hyperkinetic behaviour disorders.
PubMed:
[Conformation of valeranone and derivatives].
PubMed:
The stereospecific introduction of a vicinally functionalized angular methyl group. A synthesis of l-valeranone.
PubMed:
Structure and absolute configuration of valeranone.
PubMed:
Conformation of valeranone and derivatives.
PubMed:
STRUCTURE OF VALERANONE.
PubMed:
Antileishmanial and cytotoxic compounds from Valeriana wallichii and identification of a novel nepetolactone derivative.