Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Coniferyl ferulate

Related Products

Hot Products

Name

Coniferyl ferulate

EINECS N/A
CAS No. 63644-62-2 Density 1.269 g/cm3
PSA 85.22000 LogP 3.38480
Solubility N/A Melting Point N/A
Formula C20H20O6 Boiling Point 570.5 °C at 760 mmHg
Molecular Weight 356.375 Flash Point 202.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 63644-62-2 (coniferyl ferulate) Hazard Symbols N/A
Synonyms

2-Propenoicacid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenylester (9CI);Coniferyl ferulate;

Article Data 3

Coniferyl ferulate Specification

The Coniferyl ferulate with the CAS number 63644-62-2 is also called 2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ylester. The IUPAC name is [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl](E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. Its molecular formula is C20H20O6. This chemical is found in the rhizome of Cnidium officinale Makino.

The properties of the Coniferyl ferulate are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 75.69; (6)ACD/BCF (pH 7.4): 75.13; (7)ACD/KOC (pH 5.5): 770.24; (8)ACD/KOC (pH 7.4): 764.56; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 101.13 cm3; (15)Molar Volume: 280.6 cm3; (16)Polarizability: 40.09×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 88.74 kJ/mol; (19)Vapour Pressure: 1.29×10-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC/C=C/c1cc(OC)c(O)cc1)\C=C\c2ccc(O)c(OC)c2
(2)InChI: InChI=1/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+
(3)InChIKey: PGLIMMMHQDNVRS-YZQQHVNFBE

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 63644-62-2