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3360-41-6

Basic Information
CAS No.: 3360-41-6
Name: 4-Phenylbutanol
Article Data: 146
Molecular Structure:
Molecular Structure of 3360-41-6 (4-Phenylbutanol)
Formula: C10H14O
Molecular Weight: 150.221
Synonyms: 1-Butanol,4-phenyl- (6CI,7CI,8CI);4-Phenyl-1-butanol;4-Phenyl-1-butyl alcohol;4-Phenylbutyl alcohol;NSC 71383;Phenbutanol;Phenylbutylalcohol;Benzenebutanol;
EINECS: 222-128-8
Density: 0.983 g/cm3
Boiling Point: 258.8 °C at 760 mmHg
Flash Point: 114.3 °C
Appearance: colourless liquid
Hazard Symbols: IrritantXi, CorrosiveC
Risk Codes: 34
Safety: 23-24/25-45-36/37/39-27-26
PSA: 20.23000
LogP: 2.00160
Synthetic route
7492-40-2

4-phenylbutyl acetate

A

3360-41-6

4-phenyl-butan-1-ol

B

108-95-2

phenol

Conditions
ConditionsYield
With phosphate buffer; Phenyl acetate In diethyl ether for 2.75h; Ambient temperature; pig liver acetone powder;A 5%
B 100%
1821-12-1

4-Phenylbutyric acid

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
Stage #1: 4-Phenylbutyric acid With sodium tetrahydroborate In tetrahydrofuran at 60℃; for 0.25h;
Stage #2: With iodine In tetrahydrofuran for 5h; Reagent/catalyst;
99%
Stage #1: 4-Phenylbutyric acid With sodium tetrahydroborate In tetrahydrofuran at 60℃; for 0.25h;
Stage #2: With iodine In tetrahydrofuran for 5h;
98.4%
With C25H42N6Rh(1+)*CF3O3S(1-); phenylsilane In tetrahydrofuran at 30℃; for 20h; Inert atmosphere;96%

2-pyridyldimethyl(4-phenylbutyl)silane

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With potassium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol at 50℃; Oxidation;98%
With potassium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol at 50℃; for 6h;96%
72064-43-8

tert-butyldimethylsilyl 4-phenylbutyl ether

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol; dichloromethane at 20 - 25℃; for 0.333333h; Flow reactor;98%
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;249 mg
7492-40-2

4-phenylbutyl acetate

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With ytterbium(III) triflate In isopropyl alcohol for 12h; Deacetylation; Heating;95%
With 2,2-dibutyl-1,3,2-dioxastannane; cesium fluoride In N,N-dimethyl-formamide at 20℃; for 1h;95%
4830-93-7

1-Chloro-4-phenylbutane

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With iron(III) sulfate; water In toluene at 110℃; for 1h; Ionic liquid;95%
16520-62-0

4-Phenyl-1-butyne

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Ru(Cp)(PPh2PytBu)2(MeCN)PF6; water In isopropyl alcohol at 70℃; for 48h; Inert atmosphere; regioselective reaction;95%
With [2,2]bipyridinyl; formic acid; (η5-cyclopentadienyl) (η6-naphthalene)ruthenium hexafluorophosphate; water In tetrahydrofuran at 55℃; for 48h;88%
With formic acid; F6P(1-)*C16H22N3Ru(1+); water In 1-methyl-pyrrolidin-2-one at 25℃; for 48h; Inert atmosphere; Sealed tube;87%

C13H19NOS2

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With thiophenol; 1,1'-azobis(1-cyanocyclohexanenitrile) In chlorobenzene at 110℃; for 12h;94%
167693-07-4

4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butane

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
Stage #1: 4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butane With sodium perborate tetrahydrate; water In tetrahydrofuran at 40℃; for 0.0166667h; Schlenk technique; Flow reactor;
Stage #2: With sodium thiosulfate In tetrahydrofuran Schlenk technique; Flow reactor;
92%
With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran at 55℃; for 3h;80%
333742-34-0

2-(4-phenyl-butoxy)-tetrahydro-pyran

3360-41-6

4-phenyl-butan-1-ol

Conditions
ConditionsYield
With indium(III) triflate In methanol; water at 0 - 20℃; for 6h;92%
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Chemistry

IUPAC Name: 4-Phenylbutan-1-ol
Synonyms of Benzenebutanol (CAS NO.3360-41-6): 4-Phenylbutanol ; AI3-11560 ; EINECS 222-128-8 ; NSC 71383 ; Phenylbutyl alcohol ; 1-Butanol, 4-phenyl- (8CI) ; 4-Phenylbutan-1-ol
CAS NO: 3360-41-6
Molecular Formula: C10H14O
Molecular Weight: 150.2176
Molecular Structure:
 
Product Categories: Starting Raw Materials & Intermediates ; Alcohols ; C9 to C30 ; Oxygen Compounds 
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.522
Molar Refractivity: 46.6 cm3
Molar Volume: 152.7 cm3
Surface Tension: 38.3 dyne/cm
Density of Benzenebutanol (CAS NO.3360-41-6): 0.983 g/cm3
Flash Point: 114.3 °C
Enthalpy of Vaporization: 52.45 kJ/mol
Boiling Point: 258.8 °C at 760 mmHg
Vapour Pressure: 0.00686 mmHg at 25°C

Safety Profile

Hazard Codes of Benzenebutanol (CAS NO.3360-41-6): IrritantXi,CorrosiveC
Risk Statements: 34 
R34: Causes burns.
Safety Statements: 23-24/25-45-36/37/39-27-26 
S23: Do not breathe vapour. 
S24/25: Avoid contact with skin and eyes. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S27: Take off immediately all contaminated clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: 222-128-8
HS Code: 29062900