3,5-DI-TERT-BUTYLPHENOL Chemical Properties

Melting point:

87-89 °C(lit.)

Boiling point:

281.58°C (estimate)

Density 

0.9389 (estimate)

refractive index 

1.5073 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

10.21±0.10(Predicted)

color 

Pale Brown to Light Brown

Stability:

Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys.

InChI

InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3

InChIKey

ZDWSNKPLZUXBPE-UHFFFAOYSA-N

SMILES

C1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1

LogP

4.640

CAS DataBase Reference

1138-52-9(CAS DataBase Reference)

EPA Substance Registry System

3,5-Di-tert-butylphenol (1138-52-9)

Safety Information

Hazard Codes 

C

Risk Statements 

34-41

Safety Statements 

26-36/37/39-45

RIDADR 

3077

HazardClass 

9

PackingGroup 

III

3,5-DI-TERT-BUTYLPHENOL Usage And Synthesis

Chemical Properties

off-white crystals or powder

Uses

3,5-Di-tert-butylphenol is an volatile organic compound with anti-biofilm and antifungal activities. 3,5-Di-tert-butylphenol induces accumulation of reactive oxygen species (ROS).

References

[1] Janarthanam Rathna, et al. Anti-biofilm mechanisms of 3,5-di-tert-butylphenol against clinically relevant fungal pathogens. Biofouling. 2016 Oct;32(9):979-93. DOI:10.1080/08927014.2016.1216103
[2] Jian-Hua Chen, et al. Characterization of Volatile Organic Compounds Emitted from Endophytic Burkholderia cenocepacia ETR-B22 by SPME-GC-MS and Their Inhibitory Activity against Various Plant Fungal Pathogens. Molecules. 2020 Aug 19;25(17):3765. DOI:10.3390/molecules25173765

3,5-DI-TERT-BUTYLPHENOL(1138-52-9)Related Product Information

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