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CAS Number: 5090-54-0Picture of molecule3D/inchi
XlogP3-AA:4.40 (est)
Molecular Weight:222.37142000
Formula:C15 H26 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 287.00 to 288.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 249.00 °F. TCC ( 120.40 °C. ) (est)
logP (o/w): 4.640
Soluble in:
 water, 3.101 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
(7R)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one 95%
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 350 mg/kg
Indian Journal of Medical Research. Vol. 46, Pg. 782, 1958.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
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.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21164
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):21164
Pubchem (sid):134984684
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):HMDB36421
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 sage leaf oil
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PubMed:Chemical Composition of Nardostachys grandiflora Rhizome Oil from Nepal--A Contribution to the Chemotaxonomy and Bioactivity of Nardostachys.
PubMed:Antileishmanial and cytotoxic compounds from Valeriana wallichii and identification of a novel nepetolactone derivative.
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:Antioestrogenic activity of jatamansone semicarbazone.
PubMed:Clinical trial of jatamansone (syn: Valeranone) in hyperkinetic behaviour disorders.
PubMed:[Conformation of valeranone and derivatives].
PubMed:Animal species variation in hypotensive activity of jatamansone with a report on the clinical trial of this drug.
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:Antiarrhythmic and anticonvulsant activity of jatamansone.
Constit. of the roots of Valeriana officinalis (valerian)
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