Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate

Basic Information

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CAS Number

2082-79-3

Molecular Formula

C35H62O3

Molecular Weight

530.88 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

50-52 °C

Boiling Point

568.1±45.0 °C at 760 mmHg

Density

0.9290

Refractive Index

1.487

SMILES

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O=C(OCCCCCCCCCCCCCCCCCC)CCC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1

InChI

InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3

InChIKey

SSDSCDGVMJFTEQ-UHFFFAOYSA-N

LogP

10.724499999999992

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

561

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

Stability

Stable. Combustible. Dust/air mixtures are potentially explosive. Incompatible with strong oxidizing agents, strong acids, strong bases.

Synonyms & References

English

Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
RALOX 530
Octadecyl-3-(3,5-di-tet.-butyl-4-hydroxyphenyl)-propionate
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid stearyl ester
Antioxidant 1076
Dibutylhydroxyphenylpropionicacidstearylester
Irganox 1076
Primanox1076
n-octadecyl-β-(4-hydroxy-3,5-di-tert-butyl-phenyl)propionate
BHTOX-1076
Octadecyl-3-(3',5'-di-t-bytyl-4'-hydroxyphenyl)Propionate
Octadecy1 β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Antioxidant-1076
Stearyl 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate
n-octadecyl (3-[3,5-di-tert-butyl-4-hydroxyphenyl]propionate)
n-Octadecyl-β- (4-hydroxy-3,5-di- tert -butyl-phenyl)-propionate
3,5-Di-tert-butyl-4-hydroxyhydrocinnamic acid,octadecyl ester
ANITOXIDANT 1076
ao4
At 1076
Ethanox 376
irganox
Irganox-1076
irganox1906
Isobutyl Methacrylate
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propiona
Thanox1076
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl ester
Tominokusu SS
Naugard 76

MDL Number

MFCD00017498

Customs Code

2918290000

FAQ

What is Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3)?

Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3) is a synthetic organic compound characterized by an octadecyl chain attached to a propanoate group. Its structure includes a phenyl ring with hydroxy and tert-butyl substituents, making it a versatile molecule for applications in chemistry. It is typically a colorless liquid with low water solubility and stable under normal conditions.

What are the main uses of Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3)?

This compound is primarily used in pharmaceuticals as a lipid-based excipient, in industrial coatings for its film-forming properties, and in research for synthesizing other organic molecules. It also finds applications in food science as a flavoring agent and in polymer science for modifying material properties. Its unique structure enables functionality in multiple sectors, including drug delivery systems and surfactant formulations.

Is Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3) safe?

Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3) is generally considered safe when handled properly. It has low toxicity in standard conditions but requires precautions such as wearing gloves and goggles to avoid skin or eye contact. Safety data sheets (SDS) should be consulted for detailed handling guidelines, and it is advisable to follow OSHA and EPA regulations for safe use.

How should Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3) be stored?

Store Octadecyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate (CAS: 2082-79-3) in a sealed, cool (below 25°C), and dry environment, away from direct light. Use airtight containers to prevent moisture absorption and maintain stability. Ensure proper ventilation and avoid exposure to heat or incompatible substances to preserve its chemical integrity and prolong shelf life.