4-Dodecylphenol

Basic Information

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CAS Number

27193-86-8

Molecular Formula

C36H60O2

Molecular Weight

524.87 g/mol

EINECS

248-312-8

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

78°C (estimate)

Boiling Point

310-335 °C

Density

0.94 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.503(lit.)

SMILES

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CCCCCCCCCCCCc1ccccc1O.CCCCCCCCCCCCc1ccc(cc1)O

InChI

InChI=1S/2C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h12-13,15-16,19H,2-11,14H2,1H3;13-16,19H,2-12H2,1H3

InChIKey

LLTWLSZALYFVDM-UHFFFAOYSA-N

LogP

11.711199999999984

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

190

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/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

Synonyms & References

English

DODECYL PHENOL DDP
dodecyl-pheno
dodecylphenol(mixedisomers)
dodecylphenols
dodecyl-phenomixedisomers
phenol,dodecyl-,mixedisomers
t-det
Dodecylphenol, mixture of isomers
4-DODECYLPHENOL MIXTURE OF ISOMERS
Phenol, dodecyl-
Dodecylphenol, isomer mixture
Dodecylphenol
4-Dodecylphenol, mixture of isomers
Phenol,dodecyl
dodecyl- pheno mixed isomers
4-Dodecylphenol Mixture OF Isomers
2-Dodecylphenol
2-n-dodecylphenol
o-Dodecylphenol
Dodecyl phenol
A40GZ9LVDV
CYEJMVLDXAUOPN-UHFFFAOYSA-N
DSSTox_CID_7926
DSSTox_RID_78615
DSSTox_GSID_27926
Phenol, o-dodecyl-
Phenol, 2-dodecyl-
Phenol,dodecyl-
2-Laurylphenol
2-Dodecylphenol #
J155.343G

MDL Number

MFCD00020106

EC Number

248-312-8

FAQ

What are the physical and chemical properties of 4-Dodecylphenol (CAS: 27193-86-8)?

4-Dodecylphenol (CAS: 27193-86-8) is a white to light yellow crystalline solid with a molecular weight of approximately 258.41 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, showing some tendency towards oxidation but is generally stable under normal storage conditions. It is often used as a surfactant and emulsifier in various applications due to its hydrophobic nature.

How is 4-Dodecylphenol (CAS: 27193-86-8) typically synthesized?

4-Dodecylphenol (CAS: 27193-86-8) is typically synthesized via the Grignard reaction, where phenol reacts with dodecyllithium. The reaction is carried out in anhydrous ether or THF in the presence of a phase-transfer catalyst to enhance the reaction rate. The product is then isolated and purified by recrystallization. This method provides good yield and selectivity, making it a suitable approach for industrial production.

What industries use 4-Dodecylphenol (CAS: 27193-86-8)?

4-Dodecylphenol (CAS: 27193-86-8) is widely used in the pharmaceutical, polymer, and surfactant industries. It serves as a building block for the synthesis of various surfactants and emulsifiers, enhancing the performance of paints, inks, and cosmetics. Additionally, it is utilized in the production of rubber and plastic compounds to improve their processability and stability. Its reactivity and hydrophobic nature make it suitable for applications in sensors and semiconductors as well.

What precautions should be taken when handling 4-Dodecylphenol (CAS: 27193-86-8)?

When handling 4-Dodecylphenol (CAS: 27193-86-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin contact and eye exposure. The compound should be stored in a cool, well-ventilated area away from heat sources. In case of a spill, ensure the area is well-ventilated and use appropriate spill containment materials. Always refer to the safety data sheet (SDS) for detailed emergency procedures and handling instructions. This compound is not particularly flammable but should be handled with care to prevent skin and eye irritation.