3-Pentadecylphenol

Basic Information

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CAS Number

501-24-6

Molecular Formula

C21H36O

Molecular Weight

304.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

49.0 to 53.0 deg-C

Boiling Point

190-195 °C/1 mmHg

Refractive Index

1.4960 (estimate)

SMILES

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CCCCCCCCCCCCCCCC1=CC(=CC=C1)O

InChI

InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3

InChIKey

PTFIPECGHSYQNR-UHFFFAOYSA-N

LogP

7.025900000000006

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

226

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

PTFIPECGHSYQNR-UHFFFAOYSA-
m-Pentadecylphenol
Hydroginkgol
SCHEMBL135991
Anacardol?
Hydrocardanol
D92087
HY-W127489
NSC-9781
Tetrahydroanacardol
3-Pentadecylphenol, analytical standard
EINECS 207-921-9
3-Pentadecylphenol
Q27281005
3-n-Pentadecylphenol
3-Pentadecyl-phenol
NSC 9781
Cyclogallipharaol
J10ATZ45ZU
LMPK15010004
Phenol, m-pentadecyl- (8CI)
2-Deoxy-urushiol I
Phenol, 3-pentadecyl-
1-Hydroxy-3-pentadecylbenzene
FT-0767049
CHEMBL34689
MFCD00002310
W-105982
3-Pentadecyl Phenol
UNII-J10ATZ45ZU
Tetrahydro-Anacardol

MDL Number

MFCD00002310

Customs Code

2907199090

FAQ

What are the physical and chemical properties of 3-Pentadecylphenol (CAS: 501-24-6)?

3-Pentadecylphenol (CAS: 501-24-6) is a crystalline solid with a molecular weight of approximately 240.36 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can undergo hydrolysis under acidic conditions. It is used as a starting material in organic synthesis and has limited reactivity under normal conditions.

How is 3-Pentadecylphenol (CAS: 501-24-6) typically synthesized?

3-Pentadecylphenol (CAS: 501-24-6) is typically synthesized via the Grignard reaction of phenol with pentadecylmagnesium bromide. The reaction proceeds under anhydrous conditions with a suitable base like diethyl ether. The yield is generally high, and the product can be isolated by filtration and recrystallization from organic solvents.

What industries use 3-Pentadecylphenol (CAS: 501-24-6)?

3-Pentadecylphenol (CAS: 501-24-6) is primarily used in the pharmaceutical and chemical industries as a precursor for the synthesis of other compounds. It is also utilized in the production of polymer additives and as a functional group for further derivatization in research applications.

What precautions should be taken when handling 3-Pentadecylphenol (CAS: 501-24-6)?

When handling 3-Pentadecylphenol (CAS: 501-24-6), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled with care, and proper disposal procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed safety information.