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acetoxyvalerenic acid
(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

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CAS Number: 81397-67-3Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:2.70 (est)
Molecular Weight:292.37508000
Formula:C17 H24 O4
BioActivity Summary:listing
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
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:colorless clear viscous liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 427.00 °C. @ 760.00 mm Hg (est)
Flash Point: 302.00 °F. TCC ( 150.30 °C. ) (est)
logP (o/w): 4.106 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 water, 4.416 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor Strength:none
Odor Description:at 100.00 %. odorless
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Acetoxyvalerenic acid 95%
For experimental / research use only.
Acetoxyvalerenic Acid
For experimental / research use only.
Acetoxyvalerenic Acid (HPLC) ≥90%
Santa Cruz Biotechnology
For experimental / research use only.
Acetoxy valerenic acid
Safety Information:
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for acetoxyvalerenic acid usage levels up to:
 not for fragrance use.
Recommendation for acetoxyvalerenic acid 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 :6537490
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
 (E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6537490
Pubchem (sid):135088109
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):HMDB35687
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
Search Trop Picture
(2E)-3-[(1R,4S,7R,7aR)-1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid
3-(1-(acetyl oxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-2-propenoic acid
 acetyl valerenolic acid
(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
(2E)-3-[(1R,4S,7R,7aR)-1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
 acetylvalerenolic acid
2-propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-


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PubMed:[Inhibition of gamma-aminobutyric acid catabolism by valerenic acid derivatives]
oplopanone type saturated indene. oplopanone type saturated indene. Constit. of Valeriana officinalis (valerian)
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