3-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl ]propanoate

Basic Information

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CAS Number

6683-19-8

Molecular Formula

C73H108O12

Molecular Weight

1177.65 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

Melting Point

115-118 °C (dec.)

Boiling Point

1005.8°C at 760 mmHg

Density

1.11

Flash Point

247.3±26.4 °C

Refractive Index

1.6390 (estimate)

Vapor Pressure

0.0±0.3 mmHg at 25°C

SMILES

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O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC(COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3

InChIKey

BGYHLZZASRKEJE-UHFFFAOYSA-N

LogP

15.879199999999962

Topological Polar Surface Area

186.11999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

1730

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

Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
RALOX 630
Tetrakis-[methylene(3,5-di-tert.-butyl-4-hydroxy-hydrocinnamate)]methane
Pentaerythrityl tetrakis-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionate
Antioxidant 1010
Irganox 1010
Primanox1010
pentaerythnityl Tetrakis [β- (3, 5-di-tert-butyl-4-hydroxyphenyl) propionate]
Tetrakis[methylene-β-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionate]methane
BHTOX -1010
Tetra[methylene-3-(3'.5'-di-t-butyl-4'-hydroxyphenyl)propionate]-methane
Pentaerythritol-tetra-[β-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionate]
Antioxidant-1010
Pentaerythritol Tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)
tetrakis[methylene-3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]methane
Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) Irganox 1010
Tetrakis[methylene-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]methane
tetrakis[methyllene-β-(3,5-di-tert-butyl-4-hydroxy phenyl）-propionate]methane
Tetraalkofen BPE
Phenosane 23
Dovernox 10
Fenozan 22
Naugard 10
Fenozan 23
Sumilizer BP 101
Irganox 1040
Irganox 1010FF
Anox 20AM
ADK Stab AO 60
MARK AO 60

MDL Number

MFCD00059345

FAQ

What is 3-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6683-19-8)?

This compound is a complex ester with a molecular structure featuring multiple hydroxy and methyl groups attached to a phenyl ring. It is known for its high molecular weight and is commonly used in specialized chemical applications. Its chemical formula is C38H72O10, and it typically exists as a white crystalline solid with low solubility in water but good solubility in organic solvents.

What are the main uses of 3-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6683-19-8)?

This compound is primarily used in pharmaceutical research as a potential drug candidate, particularly in the development of anti-inflammatory and analgesic agents. It also finds applications in organic synthesis and as a component in specialized industrial formulations due to its unique structural properties.

Is 3-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6683-19-8) safe?

Safety of this compound depends on its specific application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, it is advisable to wear protective gear, such as gloves and goggles, and follow standard chemical safety protocols to minimize risks of skin contact or inhalation.

How should 3-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 6683-19-8) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at temperatures below 25°C. It should be kept in tightly sealed containers to prevent moisture absorption and contamination. Avoid exposure to light and air to maintain its chemical stability and prolong shelf life.