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Basic Information
CAS No.: 3575-31-3
Name: 4-N-OCTYLBENZOIC ACID
Molecular Structure:
Molecular Structure of 3575-31-3 (4-N-OCTYLBENZOIC ACID)
Formula: C15H22O2
Molecular Weight: 234.338
Synonyms: Benzoicacid, p-octyl- (6CI,7CI,8CI);4-n-Octylbenzoic acid;NSC173066;p-Octylbenzoic acid;
EINECS: 222-692-5
Density: 1.002 g/cm3
Melting Point: 97-98 °C(lit.)
Boiling Point: 359.876 °C at 760 mmHg
Flash Point: 172.57 °C
Solubility: Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water.
Appearance: white needles or powder
Hazard Symbols: HarmfulXn
Risk Codes: 36/37-22
Safety: 22-24/25
PSA: 37.30000
LogP: 4.28780
Related products
Synthetic route
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4-octyl-benzoic acid methyl ester

3575-31-3

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Conditions
ConditionsYield
Stage #1: 4-octyl-benzoic acid methyl ester With water; sodium hydroxide In ethanol at 20℃;
Stage #2: With sulfuric acid In ethanol; water at 20℃; for 0.25h;		99%
With lithium hydroxide In tetrahydrofuran; water for 3h; Reflux;97%
500-05-0

2H-pyran-2-one-5-carboxylic acid

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4-octylbenzoic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon In 1,3,5-trimethyl-benzene at 200℃; Diels-Alder reaction; regioselective reaction;72%
With palladium on activated charcoal In 1,3,5-trimethyl-benzene at 200℃; Diels-Alder Cycloaddition; Sealed tube;72%
79-37-8

oxalyl dichloride

2189-60-8

Octylbenzene

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4-octylbenzoic acid

Conditions
ConditionsYield
With carbon disulfide; aluminium trichloride
49763-66-8

4-octylbenzaldehyde

3575-31-3

4-octylbenzoic acid

Conditions
ConditionsYield
With jones reagent In acetone for 0.5h; Ambient temperature;
With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene In tetrahydrofuran; water; tert-butyl alcohol
10541-56-7

4-n-octylacetophenone

aqueous NaOBr solution

aqueous NaOBr solution

3575-31-3

4-octylbenzoic acid

1-<4-octyl-phenyl>-ethanone-(1)

1-<4-octyl-phenyl>-ethanone-(1)

3575-31-3

4-octylbenzoic acid

Conditions
ConditionsYield
With sodium hypobromide
4-formylamino-1-octyl-benzene

4-formylamino-1-octyl-benzene

3575-31-3

4-octylbenzoic acid

Conditions
ConditionsYield
With zinc beim Gluehen im Wasserstoffstrome; durch Erhitzen mit alkoh. Kali auf 180-190grad;
16245-79-7

4-octylaniline

copper (I)-cyanide

copper (I)-cyanide

3575-31-3

4-octylbenzoic acid

Conditions
ConditionsYield
Diazotization.Erhitzen des Reaktionsprodukts mit wss. Schwefelsaeure;
2189-60-8

Octylbenzene

dioctylbenzenes, trioctylbenzenes

dioctylbenzenes, trioctylbenzenes

3575-31-3

4-octylbenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trifluoroacetic acid / 80 °C
2: Jones reagent / acetone / 0.5 h / Ambient temperature
View Scheme
764-85-2

Nonanoyl chloride

3575-31-3

4-octylbenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: aluminum (III) chloride / 3 h / Reflux; Cooling with ice
2.1: hydrazine hydrate / diethylene glycol / 2.5 h / Reflux
2.2: 4 h / Reflux
3.1: carbon disulfide / 50 °C
4.1: sodium hypobromide / tetrahydrofuran / 3 h / 0 - 5 °C / Reflux
View Scheme
Raw Materials
54256-51-8
16245-79-7
764-85-2
49763-66-8
872-05-9
112-05-0
500-05-0
10541-56-7
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Chemistry

4-n-Octylbenzoic acid(3575-31-3) is also named as p-octylbenzoic acid;4-octyl-benzoicaci;p-octyl-benzoicaci;RARECHEM AL BE 0561;TIMTEC-BB SBB008601;4-N-OCTYLBENZOIC ACID;4-OCTYLBENZOIC ACID,and so on.

CAS: 3575-31-3
Molecular Formula: C15H22O2
Molecular Weight: 234.33
Molecular structure:
EINECS: 222-692-5
Melting point:  97-98 °C(lit.)
BRN:  1954607
Index of Refraction: 1.515 
Molar Refractivity: 70.52 cm3 
Molar Volume: 233.8 cm3 
Polarizability: 27.96 10-24cm3 
Surface Tension: 39.1 dyne/cm 
Density: 1.002 g/cm3 
Flash Point: 172.6 °C 
Enthalpy of Vaporization: 63.89 kJ/mol 
Boiling Point: 359.9 °C at 760 mmHg 
Vapour Pressure: 8.31E-06 mmHg at 25°C 

Uses

4-n-Octylbenzoic acid(3575-31-3) is commonly used as organic reagents.

Toxicity Data With Reference

1.   

ivn-mus LD50:56 mg/kg

   CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#10074 .

RTECS:  DH5945000

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

4-n-Octylbenzoic acid(3575-31-3) is  poisonous by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Codes:  Xn
Risk Statements:  36/37-22
Safety Statements:  22-24/25
WGK Germany:  3