4-(2,4,4-trimethylpentan-2-yl)phenol

Basic Information

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CAS Number

140-66-9

Molecular Formula

C14H22O

Molecular Weight

206.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

79-82 °C

Boiling Point

175 °C/30 mmHg

Solubility

water: slightly soluble0.007g/L at 20°C

Refractive Index

1.5003 (estimate)

SMILES

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CC(C)(C)CC(C)(C)c1ccc(O)cc1

InChI

InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

InChIKey

ISAVYTVYFVQUDY-UHFFFAOYSA-N

LogP

4.106000000000003

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

192

Safety Information

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GHS Hazard Pictograms

H315

H318

H410

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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 8 Class 8

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Synonyms & References

English

4-(2,4,4-Trimethylpentan-2-yl)phenol
4-(1,1,3,3-Tetramethylbutyl)phenol
PTOP
Phenol, p-(tert-octyl)-
4-(1,1,3,3-tetramethylbutyl)-pheno
p-(1,1,3,3-tetramethylbutyl)-pheno
p-(tert-octyl)-pheno
Phenol, p-(1,1,3,3-tetramethylbutyl)-
4-tert-Octylphenol (POP)
4-tert-Octylphenol
4-tert-Octylphenol solution
p-(tert-octyl)phenol
p-tert-Octylphenol
p-t-Octylphenol
tert-octylphenol
t-octylphenol
NSC 5427
NSC 7248
p-octylphenol
4-t-Octylphenol
p-Terc.oktylfenol
OfTERT octylphenol
P-T-OCTYL PHENOL
para-tert-Octylphenol
Phenol, 4-(1,1,3,3-tetramethylbutyl)-
p-(1,1,3,3-Tetramethylbutyl)phenol
p-Octylphenol (VAN)
p-terc.Oktylfenol [Czech]
tert-Octylphenol, flaked
IOY9FVU3J3
4-(TERT-OCTYL)PHENOL

MDL Number

MFCD00002368

Customs Code

29071300

FAQ

What is 4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9)?

4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9) is a phenolic compound with the molecular formula C12H20O. It features a para-substituted phenol group with a branched 2,4,4-trimethylpentyl chain, exhibiting hydrophobic properties and potential applications as an antioxidant and industrial chemical.

What are the main uses of 4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9)?

This compound is primarily used in pharmaceuticals as an antioxidant, in the food industry as a preservative, and in research for chemical synthesis. It also serves as an intermediate in the production of polymers and may be utilized in specialty coatings or fragrance formulations.

Is 4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9) safe?

4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9) is generally safe when handled properly, but it may cause skin or eye irritation. Safety standards recommend wearing protective gloves, goggles, and ensuring adequate ventilation. It should be stored securely to avoid exposure risks, and adherence to OHSAS/ISO guidelines is advised for safe handling.

How should 4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9) be stored?

Store 4-(2,4,4-trimethylpentan-2-yl)phenol (CAS: 140-66-9) in a cool, dry place away from direct light. Use airtight, sealed containers to maintain stability. Keep it at temperatures below 25°C and avoid humidity to prevent degradation. Ensure storage in a well-ventilated area and away from incompatible substances.