2-Propenoic acid,3-[(1R,4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl]-2-methyl-,(2E)- supplier

Name
HYDROXYVALERENIC ACID
EINECS
CAS No. 1619-16-5
Density 1.14 g/cm³
Solubility
Melting Point 164.5-165.5°C
Formula C₁₅H₂₂O₃
Boiling Point 426 °C at 760 mmHg
Molecular Weight 250.338
Flash Point 225.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenoicacid, 3-(2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl)-2-methyl-,[1R-[1a,4a(E),7b,7aa]]-;Indene-4-acrylic acid,2,4,5,6,7,7a-hexahydro-1-hydroxy-a,3,7-trimethyl- (7CI,8CI);Valerenolic acid (6CI);Hydroxyvalerenic acid;
PSA 57.53000
LogP 2.76070

2-Propenoic acid,3-[(1R,4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl]-2-methyl-,(2E)- Specification

The 2-Propenoic acid,3-[(1R,4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl]-2-methyl-,(2E)- is an organic compound with the formula C₁₅H₂₂O₃. The IUPAC name of this chemical is (E)-3-[(1R,4S,7R,7aR)-1-Hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid. With the CAS registry number 1619-16-5, it is also named as Hydroxyvalerenic acid. The product's categories are Plant oils, Toxins, Phenolic acids and Derivatives. Besides, its molecular weight is 250.33.

Physical properties about 2-Propenoic acid,3-[(1R,4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl]-2-methyl-,(2E)- are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 34.06; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 267.84; (7)ACD/KOC (pH 7.4): 4.37; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 69.64 cm³; (14)Molar Volume: 219.1 cm³; (15)Polarizability: 27.6×10^-24 cm³; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 78.61 kJ/mol; (20)Boiling Point: 426 °C at 760 mmHg; (21)Vapour Pressure: 4.82E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
(2)InChIKey: XJNQXTISSHEQKD-UNXUOHHUBR
(3)Std. InChI: InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
(4)Std. InChIKey: XJNQXTISSHEQKD-UNXUOHHUSA-N

Product Name

HYDROXYVALERENIC ACID

2-Propenoic acid,3-[(1R,4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1H-inden-4-yl]-2-methyl-,(2E)- Specification

Related Products

Hot Products