3-tert-Butyl-4-Hydroxyanisole

Basic Information

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CAS Number

121-00-6

Molecular Formula

C11H16O2

Molecular Weight

180.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

48-63 °C

Boiling Point

269 ºC

Solubility

ethanol: soluble1g/10 mL, clear, colorless to faint yellow or tan

Refractive Index

1.4708 (estimate)

SMILES

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COc1ccc(O)c(c1)C(C)(C)C

InChI

InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

InChIKey

MRBKEAMVRSLQPH-UHFFFAOYSA-N

LogP

2.6983000000000006

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

160

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

2-(tert-Butyl)-4-methoxyphenol
4-Hydroxy-3-tert-butylanisole
2-tert-Butyl-4-methoxyphenol
3-BHA
3-Tert-Butyl-4-Hydroxyanisole
3-tert-Butyl-p-hydroxyanisole
Phenol,2-(1,1-dimethylethyl)-4-methoxy-
BHA
2-tert
2-tert-Bha
2-tert-butyl-4
2-tert-Butyl-4-methoxyphenol,3-BHA,BHA
3-te
4-methoxy-2-tert-butylphenol
4-Methoxy-6-tert-butylphenol
AURORA 4808
BUTYL HYDROXY ANISOLE
Hydroxybutylanisole
Nipantiox
TERT-BUTYL HYDROXYANISOLE
2-tert-Butyl-p-methoxyphenol
3-(1,1-Dimethylethyl)-4-hydroxyanisole
2-tert-
2-tert.-Butyl-
AKOS BBS-00008117
3-T-BUTYL-4-HYDROXYANISOLE
Phenol, 2-(1,1-dimethylethyl)-4-methoxy-
2-(1,1-dimethylethyl)-4-methoxyphenol
Phenol, 2-tert-butyl-4-methoxy-
Phenol, (1,1-dimethylethyl)-4-methoxy-
2-Butyl-4-hydroxyanisole

MDL Number

MFCD00040484

Customs Code

2909500000

FAQ

What regulatory guidelines apply to 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6)?

3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6) is classified as a hazardous chemical under GHS as a skin and eye irritant. It is regulated under REACH in the EU, requiring manufacturers and importers to identify and classify the substance, as well as to establish a safety data sheet (SDS). Additionally, the FDA and EPA have specific guidelines for its use in food and environmental protection, respectively.

Are there alternatives to 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6) in synthesis?

Yes, alternatives to 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6) include other phenolic antioxidants such as butylated hydroxytoluene (BHT) and propyl gallate. In some applications, synthetic antioxidants or natural antioxidants like ascorbic acid can also be considered as substitutes.

What is the market or research trend for 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6)?

The market for 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6) is primarily driven by its use as a preservative in food and pharmaceuticals. Research trends are shifting towards developing more sustainable and natural preservatives, but 3-tert-Butyl-4-Hydroxyanisole remains a key player in the industry due to its efficacy and stability.

How should waste containing 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6) be handled?

Waste containing 3-tert-Butyl-4-Hydroxyanisole (CAS: 121-00-6) should be collected in accordance with local regulations. It is recommended to use appropriate collection containers and label them as hazardous. The waste should be incinerated in an appropriate facility or disposed of through professional waste disposal services to minimize environmental impact. Proper personal protective equipment (PPE) should be worn during handling to ensure safety.