2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester

Basic Information

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CAS Number

104594-70-9

Molecular Formula

C17H16O4

Molecular Weight

284.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

127.0 to 131.0 deg-C

Density

1.2660

Solubility

Soluble in ethyl acetate at 50mg/ml. Soluble in DMSO and ethanol.

SMILES

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C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+

InChIKey

SWUARLUWKZWEBQ-VQHVLOKHSA-N

LogP

2.8969000000000023

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

347

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Sensitiveness

Light Sensitive

Synonyms & References

English

BRD-K84709232-001-02-6
QAP
HMS2233J04
HMS3677D22
AS-14021
(E)-phenethyl3-(3,4-dihydroxyphenyl)acrylate
BSPBio_003586
C 8221
caffeic acid phenylethyl ester
SR-01000075785
NCGC00093727-04
CHEMBL319244
caffeic acid phenethylester
MLS000859889
CCG-39542
CS-0008774
SW219156-1
Phenethyl (E)-caffeate
2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
NCGC00260954-01
2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate
AKOS015888207
2-phenylethyl caffeate
SR-01000075785-9
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
LP00269
CHEBI:93478
Methanone, 1,1'-(1,2-cyclopropanediyl)bis[1-phenyl-
LS-14562
SMR000326751
100981-80-4

MDL Number

MFCD00866470

Customs Code

2918290000

FAQ

What is 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester (CAS: 104594-70-9)?

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester (CAS: 104594-70-9) is a chemical compound commonly known as 3-(3,4-Dihydroxyphenyl)propenoic acid, 2-phenylethyl ester. It is a derivative of cinnamic acid and contains a phenolic hydroxyl group. This compound is used in various scientific applications and is characterized by its molecular formula C16H16O5 and molecular weight of 284.3 g/mol.

What are the main uses of 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester (CAS: 104594-70-9)?

This compound is primarily used in pharmaceutical research for its potential therapeutic applications, including as an antioxidant and a compound of interest in drug development. It also finds use in organic synthesis and as a reagent in chemical research. Its unique structure makes it relevant in the study of bioactive molecules and medicinal chemistry.

Is 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester (CAS: 104594-70-9) safe?

While 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester is generally considered safe in controlled laboratory settings, it should be handled with care. Precautions include wearing protective gloves, goggles, and clothing to avoid skin or eye contact. Safety data sheets (SDS) should be consulted for specific handling guidelines and exposure limits, ensuring compliance with standard chemical safety practices.

How should 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester (CAS: 104594-70-9) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and strong light. It is recommended to keep it in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prevents degradation. Avoid exposure to air and store in a well-ventilated area to ensure safety and longevity.