4-(3,5,7-Trimethylnonyl)phenol

Basic Information

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CAS Number

210555-94-5

Molecular Formula

C18H30O

Molecular Weight

262.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

310-335 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.503(lit.)

SMILES

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

InChI

InChI=1S/C18H30O/c1-5-14(2)12-16(4)13-15(3)6-7-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3

InChIKey

ZLIZUPQZVMVLPA-UHFFFAOYSA-N

LogP

5.4233000000000064

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

218

Synonyms & References

English

4-(3,5,7-trimethylnonyl)phenol
210555-94-5
4-Dodecylphenol (mixture of isomers)
NS00019789
4-(3, 5, 7-trimethylnonyl)phenol
Phenol, 4-dodecyl-,branched
4-(3,5,7-Trimethylnonyl)phenol
4-Dodecylphenol, mixture of isomers
4-Dodecylphenol, mixture of isomersneat
phenol, 4-(3,5,7-trimethylnonyl)-

MDL Number

MFCD01106359

FAQ

What are the physical and chemical properties of 4-(3,5,7-Trimethylnonyl)phenol (CAS: 210555-94-5)?

4-(3,5,7-Trimethylnonyl)phenol has a crystalline form with a molecular weight of approximately 264.44 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong oxidizers and reducing agents. It is not highly reactive under normal conditions but should be handled with care to avoid degradation.

How is 4-(3,5,7-Trimethylnonyl)phenol (CAS: 210555-94-5) typically synthesized?

4-(3,5,7-Trimethylnonyl)phenol is typically synthesized by the reduction of 4-(3,5,7-Trimethylheptyl)benzaldehyde with sodium borohydride. The reaction proceeds with good selectivity and yield, making it a straightforward method for producing this compound. The process requires proper handling of aldehyde and reducing agents under anhydrous conditions.

What industries use 4-(3,5,7-Trimethylnonyl)phenol (CAS: 210555-94-5)?

4-(3,5,7-Trimethylnonyl)phenol is used in various industries. It is a key component in the production of certain pharmaceuticals, where its fragrance and antioxidant properties are utilized. It is also used in the formulation of polymer additives, sensors, and semiconductors due to its unique chemical structure and stability.

What precautions should be taken when handling 4-(3,5,7-Trimethylnonyl)phenol (CAS: 210555-94-5)?

When handling 4-(3,5,7-Trimethylnonyl)phenol, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents, and the area should be thoroughly washed. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.