Docosyl (2E)-3-(4-hydroxyphenyl)acrylate supplier

Name
(E)-3-(4-HYDROXY-PHENYL)-ACRYLIC ACID DOCOSYL ESTER
EINECS
CAS No. 101959-29-9
Article Data2
CAS DataBase
Density 0.954 g/cm³
Solubility
Melting Point
Formula C₃₁H₅₂O₃
Boiling Point 575.159 °C at 760 mmHg
Molecular Weight 472.74
Flash Point 208.85 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenoic acid, 3-(4-hydroxyphenyl)-, docosyl ester, (E)-;n-Docosyl 4-hydroxy-trans-cinnamate;
PSA 46.53000
LogP 9.77050

Docosyl (2E)-3-(4-hydroxyphenyl)acrylate Specification

The Docosyl (2E)-3-(4-hydroxyphenyl)acrylate, with the CAS registry number 101959-29-9, is also known as n-Docosyl 4-hydroxy-trans-cinnamate. This chemical's molecular formula is C₃₁H₅₂O₃ and molecular weight is 472.74. What's more, its systematic name is Docosyl (2E)-3-(4-hydroxyphenyl)acrylate.

Physical properties of Docosyl (2E)-3-(4-hydroxyphenyl)acrylate are: (1)ACD/LogP: 12.799 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 12.80; (3)ACD/LogD (pH 7.4): 12.80; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 10000000.00; (7)ACD/KOC (pH 7.4): 10000000.00; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 25; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 147.722 cm³; (14)Molar Volume: 495.469 cm³; (15)Polarizability: 58.562×10^-24cm³; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 0.954 g/cm³; (18)Flash Point: 208.85 °C; (19)Enthalpy of Vaporization: 89.351 kJ/mol; (20)Boiling Point: 575.159 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCC)/C=C/c1ccc(O)cc1
(2)Std. InChI: InChI=1S/C31H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-34-31(33)27-24-29-22-25-30(32)26-23-29/h22-27,32H,2-21,28H2,1H3/b27-24+
(3)Std. InChIKey: PHDAMXFKBIUHBU-SOYKGTTHSA-N

Product Name

(E)-3-(4-HYDROXY-PHENYL)-ACRYLIC ACID DOCOSYL ESTER

Docosyl (2E)-3-(4-hydroxyphenyl)acrylate Specification

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