1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione

Basic Information

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CAS Number

36062-04-1

Molecular Formula

C21H24O6

Molecular Weight

372.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

95-97 ºC

Boiling Point

564.1°C at 760 mmHg

Solubility

9.434 mg/L @ 25 °C (est)

SMILES

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COc1cc(CCC(=O)CC(=O)CCc2ccc(c(c2)OC)O)ccc1O

InChI

InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3

InChIKey

LBTVHXHERHESKG-UHFFFAOYSA-N

LogP

3.2087000000000017

Topological Polar Surface Area

93.06000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

437

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Storage Conditions

-20℃

Synonyms & References

English

Tetrahydrocurcumin
Tetrahydrodiferuloylmethane
Tetrahydrocucumin
1,7-Bis(4-hydroxy-3-methoxyphenyl) heptane-3,5-dione
HZIV 81-2
1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione
NSC687845
[ "" ]
tetrahydrocurcuminoids
1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
Sabiwhite
3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
LBTVHXHERHESKG-UHFFFAOYSA-N
3,5-Heptamedopme. 1,7-bis(hydroxy-3methoxyphenyl)heptane
00U0645U03
THC (Tetra Hydro Curcumin)
Sabiwhite,Tetrahydrodiferuloylmethane

MDL Number

MFCD04152347

FAQ

What is 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1)?

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione is an organic compound with the CAS number 36062-04-1. It is a dihydroxy derivative of heptanedione, featuring two phenyl rings substituted with hydroxyl and methoxy groups. This compound is known for its aromatic structure and potential applications in various scientific fields.

What are the main uses of 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1)?

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1) is primarily used in pharmaceutical research as a potential lead compound for drug development. It also finds applications in the synthesis of dyes and organic materials, and may be used in chemical research for its structural versatility and reactivity.

Is 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1) safe?

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1) is generally considered safe when handled properly. However, as with many organic compounds, it should be used with appropriate safety measures, including wearing protective gloves and goggles. It is advisable to follow standard chemical safety protocols to ensure safe handling and exposure limits.

How should 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1) be stored?

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione (CAS: 36062-04-1) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container away from moisture and air. Avoid exposure to high temperatures and direct sunlight to preserve its chemical integrity.