VALERENIC ACID CAS NO.3569-10-6

VALERENIC ACID Basic information
Product Name:    VALERENIC ACID
Synonyms:    VALERENIC ACID;VALERENIC ACID WITH HPLC;(E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-inden-4-yl]-2-methylpropenoic acid;(2E)-3-[(4S,7R,7aR)-2,4,5,6,7,7a-Hexadydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid;2-Propenoic acid, 3-(2,4,5,6,7,7A-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-;Valerenic Acid (15 mg);VALERENIC ACID(P);VALERENIC ACID SNAP-N-SHOOT 0.1mg/mL(P)
CAS:    3569-10-6
MF:    C15H22O2
MW:    234.33
EINECS:    
Product Categories:    Plant Oils, Toxins, Phenolic Acids & Derivatives;Natural Plant Extract;Organic AcidsAnalytical Standards;Alphabetic;Chromatography;Food&Beverage Standards;V
Mol File:    3569-10-6.mol

VALERENIC ACID Chemical Properties
Melting point     134-139°C
Boiling point     374.5±21.0 °C(Predicted)
density     1.06±0.1 g/cm3(Predicted)
storage temp.     −20°C
solubility     Chloroform (Slightly), Ethanol (Slightly),Methanol (Slightly)
pka    4.88±0.19(Predicted)
form     Solid
color     White to Off-White
BRN     3138020
LogP    5.188 (est)
CAS DataBase Reference    3569-10-6(CAS DataBase Reference)
Safety Information
WGK Germany     3
RTECS     UD3357700
F     8-10
HS Code     2916205000

VALERENIC ACID Usage And Synthesis
Uses    Valerenic Acid, acts as a subtype-selective GABAA receptor agonist in neonatal rat brainstem preparations. It can be used for the synthesis of Valerena-4,7(11)-diene, a highly active sedative.
Definition    ChEBI: A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.
Biological Activity    Positive allosteric modulator of GABA A receptors that displays preference for receptors containing β 2 or β 3 subunits. Directly activates the receptor and also blocks the channel at high concentrations. Displays a sedative and anxiolytic activity in vivo . Also acts as a partial agonist of 5-HT 5A receptors.
VALERENIC ACID Preparation Products And Raw materials
Preparation Products    1-Pentanol-->Valeronitrile-->Ethyl valerate-->Valeryl chloride