4-N-OCTYLBENZOIC ACID Chemical Properties

Melting point:

97-98 °C(lit.)

Boiling point:

361.43°C (estimate)

Density 

1.002

refractive index 

1.5262 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

4.36±0.10(Predicted)

color 

Crystals from EtOH (aq)

Water Solubility 

Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water.

BRN 

1954607

CAS DataBase Reference

3575-31-3(CAS DataBase Reference)

EPA Substance Registry System

Benzoic acid, 4-octyl- (3575-31-3)

Safety Information

Hazard Codes 

Xn

Risk Statements 

36/37-22

Safety Statements 

22-24/25

WGK Germany 

3

RTECS 

DH5945000

TSCA 

Yes

HS Code 

29163990

Toxicity

LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074

MSDS

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

4-N-OCTYLBENZOIC ACID Usage And Synthesis

Chemical Properties

white needles or powder

Uses

4-n-Octylbenzoic acid is used as a pharmaceutical intermediate.

Safety Profile

Poison by intravenous route.When heated to decomposition it emits acrid smoke andirritating fumes.

Purification Methods

When crystallised from EtOH it has m 139o, but when crystallised from aqueous EtOH it has m 99-100o. It forms liquid crystals. [Beilstein 9 H 571, 9 III 2611.]

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