4-Butoxyphenol

4-Butoxyphenol Property

Melting point:

65-66 °C(lit.)

Boiling point:

165 °C / 2mmHg

Density 

1.0060 (rough estimate)

refractive index 

1.5200 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Soluble in acetone and ethanol.

pka

10.33±0.15(Predicted)

form 

Solid

color 

Light Brown to Brown

InChI

InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3

InChIKey

MBGGFXOXUIDRJD-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

122-94-1(CAS DataBase Reference)

NIST Chemistry Reference

P-butoxyphenol(122-94-1)

EPA Substance Registry System

Phenol, 4-butoxy- (122-94-1)

Safety

Hazard Codes 

Xn,Xi,T

Risk Statements 

22-37/38-40-41-43-52/53-42/43-36/37/38-23/24/25-45-R42/43-R36/37/38-R23/24/25-R45

Safety Statements 

26-36/37/39-61-53-45-22-S53-S45-S36/37/39-S26-S22-37/39

RIDADR 

2811

WGK Germany 

3

TSCA 

Yes

HS Code 

29095000

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

P501Dispose of contents/container to..…

4-Butoxyphenol Chemical Properties,Usage,Production

Chemical Properties

PALE BROWN TO BROWN CRYSTALLINE POWDER

Uses

It is an intermediate of liquid crystals.

Uses

Intermediates of Liquid Crystals

Uses

Pramoxine impurity. Phenol derivatives induced tumor cell apoptosis.

Definition

ChEBI: 4-Butoxyphenol is an aromatic ether.

Synthesis

General procedure for the synthesis of 4-n-butoxyphenol from 1-butoxy-4-iodobenzene: To a stirred solution containing CuI (19.0 mg, 10 mol%) and dimethylethylenedioxime (L6; 23.2 mg, 20 mol%) were added, in order, aryl halide (1 mmol), CsOH (3 mmol), and H2O (1 mL) over a period of 0.1 hours. The reaction mixture was stirred in DMSO (1 mL) at 120 °C (for aryl iodides) or the corresponding temperature (for aryl bromides). The reaction progress was monitored by TLC (EtOAc-hexane). Upon completion of the reaction, the mixture was cooled to room temperature and acidified with 0.5 M HCl (0.5 mL). The resulting mixture was extracted with EtOAc (3 × 10 mL) and the organic phase was dried with Na2SO4. After evaporation of the solvent, the residue obtained was purified by column chromatography.

References

[1] Journal of Chemical Sciences, 2018, vol. 130, # 2,