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CAS No.: | 3575-31-3 |
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Name: | 4-N-OCTYLBENZOIC ACID |
Article Data: | 20 |
Molecular Structure: | |
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: | Xn |
Risk Codes: | 36/37-22 |
Safety: | 22-24/25 |
PSA: | 37.30000 |
LogP: | 4.28780 |
4-octyl-benzoic acid methyl ester
4-octylbenzoic acid
Conditions | Yield |
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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% |
Conditions | Yield |
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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% |
Conditions | Yield |
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With carbon disulfide; aluminium trichloride |
4-octylbenzaldehyde
4-octylbenzoic acid
Conditions | Yield |
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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 |
4-n-octylacetophenone
4-octylbenzoic acid
4-octylbenzoic acid
Conditions | Yield |
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With sodium hypobromide |
4-octylbenzoic acid
Conditions | Yield |
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With zinc beim Gluehen im Wasserstoffstrome; durch Erhitzen mit alkoh. Kali auf 180-190grad; |
Conditions | Yield |
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Diazotization.Erhitzen des Reaktionsprodukts mit wss. Schwefelsaeure; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: trifluoroacetic acid / 80 °C 2: Jones reagent / acetone / 0.5 h / Ambient temperature View Scheme |
Conditions | Yield |
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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 |
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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
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
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