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2316-26-9

2316-26-9 structural image
Product Name: 3,4-Dimethoxycinnamic acid
Formula: C11H12O4
Synonyms: Caffeic acid dimethyl ether
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 180 - 181.5 °C
Collision Cross Section 137.3 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 1949 1926.2

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 P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 208.21 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 208.07355886 g/mol
Monoisotopic Mass 208.07355886 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 237
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

3,4-dimethoxycinnamic acid is a methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. It is functionally related to a trans-cinnamic acid.

RELATED SUPPLIERS

PEE ESS AROMATICS

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product:2316-26-9 3,4-Dimethoxy cinnamic acid 99%

Tosco Pharmachem Pvt Ltd

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Madin Life Sciences Pvt Ltd

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Qualychem

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product:3,4-Dimethoxycinnamic acid
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