4-N-BUTOXYPHENYLACETIC ACID Chemical Properties

Melting point:

82-88 °C

Boiling point:

86-87 °C(Press: 1 Torr)

Density 

1.093±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

soluble in Methanol

form 

powder to crystal

pka

4.45±0.10(Predicted)

color 

White to Light yellow

BRN 

1105534

InChI

1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)

InChIKey

KLJMYYFCWBVKEE-UHFFFAOYSA-N

SMILES

CCCCOc1ccc(CC(O)=O)cc1

CAS DataBase Reference

4547-57-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

2

RTECS 

AF6945000

HS Code 

2914.79.4000

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-N-BUTOXYPHENYLACETIC ACID Usage And Synthesis

Chemical Properties

White to off-white powder

Uses

4-Butoxyphenylacetic acid may be used in chemical synthesis studies.

Purification Methods

Recrystallise it from pet ether (b 40-60o). [McElvain & Carney J Am Chem Soc 68 2592 1946, Beilstein 10 IV 545.]

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