valerenal
2-propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4a(E),7b,7aa))-
Identification
| Name | valerenal |
| IUPAC | (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal |
| CAS Number | 4176-16-3 |
| FDA UNII | Search |
| Molecular Formula | C15 H22 O |
| Molecular Weight | 218.33954000 |
| Nikkaji Number | J14.797D |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 325.00 to 327.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000222 mmHg @ 25.00 °C. (est) |
| Flash Point | 316.00 °F. TCC ( 157.78 °C. ) |
| logP (o/w) | 5.241 (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 valerenal usage levels up to | not for fragrance use. |
| Recommendation for valerenal flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
(E)-3-[(4S,7R,7aR)-3,7-
dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal
(4S-(4alpha(E),7beta,7aalpha))-3-(2,4,5,6,7,7a-
hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-2-propenal
2-
propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4a(E),7b,7aa))-
PubMed:
Revised structures of nardal and nardin: identity with valerenal and valerenic acid.
PubMed:
Composition of essential oils in subterranean organs of three species of Valeriana L.
PubMed:
NF-kappaB modulators from Valeriana officinalis.
PubMed:
Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation.
PubMed:
[Der Einfluss von Valerenal und Valerensäuren aus Valeriana officinalis auf die Aktivität von Ratten und den Dopamin-Metabolismus im Rattengehirn.]
PubMed:
Pharmacological screening of valerenal and some other components of essential oil of Valeriana officinalis.