CAS 140-10-3 trans-Cinnamic Acid Zone Refined (number of passes:40)

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trans-Cinnamic Acid Zone Refined (number of passes:40)

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Catalog Number

ACM140103

CAS Number

140-10-3

Product Name

trans-Cinnamic Acid Zone Refined (number of passes:40)

Structure

Category

Other Material Building Blocks

Description

Solid;Solid;White crystalline scales, honey floral odour

IUPAC Name

(E)-3-phenylprop-2-enoic acid

Molecular Weight

148.16g/mol

Molecular Formula

C9H8O2;C9H8O2

Canonical SMILES

C1=CC=C(C=C1)C=CC(=O)O

InChI

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

InChI Key

WBYWAXJHAXSJNI-VOTSOKGWSA-N

Boiling Point

300.0 °C

Melting Point

133.0 °C;Mp 133 °;133°C

Solubility

0.00 M;0.546 mg/mL at 25 °C;0.546 mg/mL;insoluble in water; soluble in oils;slightly soluble (in ethanol)

Application

Trans-Cinnamic Acid Zone Refined (number of passes: 40) serves as a high-purity crystalline compound, significantly facilitating the study of phenolic compounds. This practically insoluble substance in water shows increased solubility in organic solvents like benzene, acetone, ether, and glacial acetic acid, making it particularly versatile for analytical applications. Its role is critical in establishing comprehensive libraries for phenolic compounds using advanced techniques such as liquid chromatography coupled with ultraviolet and mass spectrometry. As a monocarboxylic acid naturally occurring in Cinnamomum cassia, it holds value both as a plant metabolite and as a representative of styrene and cinnamic acid families, providing a reliable standard for research and analysis in various scientific fields.

Complexity

155

Covalently-Bonded Unit Count

EC Number

205-398-1;210-708-3

Exact Mass

148.052429g/mol

Formal Charge

Heavy Atom Count

Log P

2.13 (LogP);2.13;2.13

MeSH Entry Terms

cinnamic acid;cinnamic acid, (trans)-(E)-isomer;cinnamic acid, (Z)-isomer;cinnamic acid, 13C-labeled cpd;cinnamic acid, 14C-labeled cpd;cinnamic acid, 14C-labeled cpd (E)-isomer;cinnamic acid, 2-(13)C-labeled cpd;cinnamic acid, 2-(14)C-labeled cpd;cinnamic acid, 3-(14)C-labeled cpd;cinnamic acid, 3H-labeled cpd (E)-isomer;cinnamic acid, 3H-labeled cpd (Z)-isomer;cinnamic acid, ion(1-);cinnamic acid, ion(1-)-(E)-isomer;cinnamic acid, nickel (+2) salt;cinnamic acid, potassium salt;cinnamic acid, sodium salt;cinnamic acid, sodium salt(E)-isomer;cinnamic acid, sodium salt(Z)-isomer;cinnamic acid, zinc salt(E)-isomer

Monoisotopic Mass

148.052429g/mol

NSC Number

623441;44010;9189

Rotatable Bond Count

UNII

U14A832J8D

Vapor Pressure

3.21e-05 mmHg

XLogP3

2.1

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