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537-98-4

537-98-4 structural image
Product Name: trans-Ferulic acid
Formula: C10H10O4
Synonyms: trans-4-Hydroxy-3-methoxycinnamic acid;trans-Ferulic acid;Ferulic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description cis-Form is a yellow liquid; trans-Form is a solid; [Merck Index] trans-Isomer: Tan powder; [Alfa Aesar MSDS]
Melting Point 168 - 171 °C
Vapor Pressure 0.00000269 [mmHg]
LogP log Kow = 1.51
Dissociation Constants pKa = 4.58
Collision Cross Section 139.8 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Kovats Retention Index 1897.1
Other Experimental Properties Yellow oil. UV max (alcohol): 316 nm /cis-Form/
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 194.18 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 194.05790880 g/mol
Monoisotopic Mass 194.05790880 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 224
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

trans-Ferulic acid was used for esterification of methacrylated dextran. It was also used to study the effect of oral administration of trans-ferulic acid to c57BL mice on ethanol-induced liver injury. Furthermore, it has been used in the synthesis of new biocompatible antioxidant polymers linking trans-ferulic acid.

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