2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)-

Basic Information

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CAS Number

531-95-3

Molecular Formula

C15H14O3

Molecular Weight

242.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

189-190°C

Boiling Point

441.7℃ at 760 mmHg

Solubility

72.3 mg/L @ 25 °C (est)

Refractive Index

1.5557 (estimate)

Specific Rotation

D -21.5°

SMILES

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Oc1ccc(cc1)[C@H]1COc2c(C1)ccc(c2)O

InChI

InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1

InChIKey

ADFCQWZHKCXPAJ-GFCCVEGCSA-N

LogP

2.816500000000001

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

273

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

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

Synonyms & References

English

(S)-3-(4-Hydroxyphenyl)chroman-7-ol
(S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
(S)-Equol
3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
Equol
(3S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
4',7-DIHYDROXYISOFLAVAN
4',7-ISOFLAVANDIOL
7,4'-ISOFLAVANDIOL
R,S-EQUOL
(S)-(–)-4′,7-isoflavandiol
(-)-(S)-Equol
(-)-Equol
S-Equol
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)-
2T6D2HPX7Q
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
(S)-(-)-4',7-Isoflavandiol
(3S)-3-(4-hydroxyphenyl)chroman-7-ol
7,4'-dihydroxyisoflavan
3,4-Dihydro

MDL Number

MFCD00200962

Customs Code

2932999099

FAQ

What is 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- (CAS: 531-95-3)?

2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- (CAS: 531-95-3) is a phenolic compound with the molecular formula C15H14O4. It exhibits antioxidant properties and is a key structural component in various natural and synthetic molecules. The (3S) stereochemistry and hydroxyphenyl substitution contribute to its unique chemical behavior and biological activity.

What are the main uses of 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- (CAS: 531-95-3)?

This compound is primarily used in pharmaceutical research for its potential antioxidant and anti-inflammatory effects. It also serves as an intermediate in the synthesis of drugs and organic materials. Additionally, it is employed in industrial applications such as dye production and as a component in cosmetic or food additives, though specific uses depend on its derivatives and functional groups.

Is 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- (CAS: 531-95-3) safe?

The safety of 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- (CAS: 531-95-3) depends on exposure conditions. It is generally considered safe in controlled environments, but proper handling is required to avoid skin or eye contact. Safety data sheets recommend using appropriate protective equipment, and it should be stored in accordance with standard chemical safety protocols to minimize risks.

How should 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- (CAS: 531-95-3) be stored?

This compound should be stored in a cool, dry place, away from light and moisture. Keep in a sealed, airtight container at temperatures below 25°C (77°F) to maintain stability. Avoid exposure to strong oxidizing agents and ensure proper ventilation to prevent contamination. Storage conditions should comply with regulatory guidelines for chemical preservation.