(2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one | CAS No. 961-29-5

Q: What is (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5)?

This compound, also known as (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, is a substituted coumarin derivative with the chemical formula C15H12O4. It features two hydroxyphenyl groups attached to a conjugated propenone system, giving it aromatic and reactive properties. Commonly used as a key intermediate in organic synthesis, it exhibits stability under standard conditions and is valued for its structural versatility in drug development and chemical research. Its molecular structure includes a ketone group and multiple phenolic hydroxyl groups, contributing to its functional characteristics.

Q: What are the main uses of (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5)?

The compound finds applications in pharmaceuticals as a precursor for developing drugs targeting metabolic disorders. It is also utilized in the industrial production of dyes, agrochemicals, and specialty polymers. In research, it serves as a valuable tool for studying aromatic compounds and their reactivity. Additionally, its unique structure makes it relevant in the synthesis of bioactive molecules and as a component in chemical probes for medicinal chemistry. These uses highlight its importance in both academic and commercial settings.

Q: Is (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5) safe?

Safety precautions for this compound include avoiding direct skin and eye contact, as it may cause irritation. It is generally considered hazardous under GHS guidelines due to its potential to be harmful if inhaled or ingested. Proper handling requires using gloves, safety goggles, and working in a well-ventilated area. While it is not classified as highly toxic, adherence to standard chemical safety protocols is essential to minimize risks during laboratory or industrial use.

Q: How should (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5) be stored?

This compound should be stored in a cool, dry, and dark environment to maintain stability. Keep it in a sealed container, preferably glass, to prevent moisture ingress. Storage temperature should be between 2-8°C to avoid degradation. Avoid exposure to light and air to preserve its chemical integrity. Always store in a well-ventilated area, away from incompatible substances, to ensure long-term safety and efficacy.

(2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

Basic Information

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CAS Number

961-29-5

Molecular Formula

C15H12O4

Molecular Weight

256.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Orange powder

Melting Point

196.0 to 200.0 deg-C

Boiling Point

504 °C at 760 mmHg

Density

1.3840

Flash Point

504 °C at 760 mmHg

Solubility

H2O: <0.1 mg/mL

SMILES

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Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O

InChI

InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

InChIKey

DXDRHHKMWQZJHT-FPYGCLRLSA-N

LogP

2.6995000000000013

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

331

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8℃

Sensitiveness

Light Sensitive & Hygroscopic

Synonyms & References

English

Isoliquiritigenin
2',4,4'-TRIHYDROXYCHALCONE
(e)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
2’,4,4’-trihydroxy-chalcon
4,4’-trihydroxychalcone(e)-2
4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-((e)-2-propen-1-on
gu17
ISOLIQUIRITIGENIN(P)
ISOLIQUIRITIGENIN(RG)
(E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, 4,2μ,4μ-
Trihydroxychalcone
(E)-2',4,4'-Trihydroxychalcone
2',4,4'-Trihydroxy-trans-chalcone
2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
Isoliquiritigenin（ISL,GU 17, ILTG）
2',4',4-TRIHYDROXYCHALCONE
4,2',4'-TRIHYDROXYCHALCONE
GU-17
ISL
Isoliquiritigen
Isoliquiritigenin,4,2',4'-Trihydroxychalcone
ISOLIQUIRTIGENIN
Isqliquiritigenin
4,2′,4′-Trihydroxychalcone
[ "" ]
6'-deoxychalcone
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
GU 17
C15H12O4
Chalcone, 2',4,4'-trihydroxy-
B9CTI9GB8F

MDL Number

MFCD00075907

Customs Code

2914501900

FAQ

What is (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5)?

This compound, also known as (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, is a substituted coumarin derivative with the chemical formula C15H12O4. It features two hydroxyphenyl groups attached to a conjugated propenone system, giving it aromatic and reactive properties. Commonly used as a key intermediate in organic synthesis, it exhibits stability under standard conditions and is valued for its structural versatility in drug development and chemical research. Its molecular structure includes a ketone group and multiple phenolic hydroxyl groups, contributing to its functional characteristics.

What are the main uses of (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5)?

The compound finds applications in pharmaceuticals as a precursor for developing drugs targeting metabolic disorders. It is also utilized in the industrial production of dyes, agrochemicals, and specialty polymers. In research, it serves as a valuable tool for studying aromatic compounds and their reactivity. Additionally, its unique structure makes it relevant in the synthesis of bioactive molecules and as a component in chemical probes for medicinal chemistry. These uses highlight its importance in both academic and commercial settings.

Is (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5) safe?

Safety precautions for this compound include avoiding direct skin and eye contact, as it may cause irritation. It is generally considered hazardous under GHS guidelines due to its potential to be harmful if inhaled or ingested. Proper handling requires using gloves, safety goggles, and working in a well-ventilated area. While it is not classified as highly toxic, adherence to standard chemical safety protocols is essential to minimize risks during laboratory or industrial use.

How should (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one (CAS: 961-29-5) be stored?

This compound should be stored in a cool, dry, and dark environment to maintain stability. Keep it in a sealed container, preferably glass, to prevent moisture ingress. Storage temperature should be between 2-8°C to avoid degradation. Avoid exposure to light and air to preserve its chemical integrity. Always store in a well-ventilated area, away from incompatible substances, to ensure long-term safety and efficacy.