3,5-Di-tert-butylphenol

Basic Information

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CAS Number

1138-52-9

Molecular Formula

C14H22O

Molecular Weight

206.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

89-91°C

Boiling Point

281.58°C (estimate)

Flash Point

127.2°C

Refractive Index

1.5073 (estimate)

SMILES

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

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

LogP

3.987200000000003

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

184

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Stability

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

Synonyms & References

English

D5978
NSC 68209
SY047068
3,5-Di-t-butylphenol
NSC68209
1138-52-9
CS-W021820
3,5-bis(tert-butyl)phenol
NS00020561
F4SMH8G9W7
AM82867
Phenol, 3,5-di-tert-butyl-
AG-672/25002600
3,5-Di-tert-butylphenol 100 microg/mL in Acetonitrile
ChemDiv3_014149
NCGC00337070-01
3,5-di-tert-butyl phenol
3,5-di-tertiary butylphenol
SR-01000597208
AKOS001387910
PD158378
BDBM50409534
SR-01000597208-1
CCG-202926
C14H22O
UNII-F4SMH8G9W7
3,5-BIS(1,1-DIMETHYLETHYL)PHENOL
HY-W041080
EINECS 214-513-4
CHEMBL321841
3,5-di-tertbutylphenol

MDL Number

MFCD00008829

FAQ

What are the physical and chemical properties of 3,5-Di-tert-butylphenol (CAS: 1138-52-9)?

3,5-Di-tert-butylphenol (CAS: 1138-52-9) is a white crystalline solid with a molecular weight of approximately 258.43 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong acids or bases. It is used in the synthesis of other compounds and in the formulation of various commercial products.

How is 3,5-Di-tert-butylphenol (CAS: 1138-52-9) typically synthesized?

3,5-Di-tert-butylphenol (CAS: 1138-52-9) is typically synthesized via the reduction of 3,5-dibromo-2,4,6-trimethylbenzene using sodium borohydride as a reducing agent. The reaction yields a high purity product with good selectivity and high yield. This method is commonly used in laboratory and industrial settings.

What industries use 3,5-Di-tert-butylphenol (CAS: 1138-52-9)?

3,5-Di-tert-butylphenol (CAS: 1138-52-9) is widely used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a stabilizer, and in the production of sensors and semiconductors due to its stability and reactivity.

What precautions should be taken when handling 3,5-Di-tert-butylphenol (CAS: 1138-52-9)?

When handling 3,5-Di-tert-butylphenol (CAS: 1138-52-9), it is essential to wear protective gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.