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Cas Database

Name	4-Phenylbutanol	EINECS	222-128-8
CAS No.	3360-41-6	Density	0.983 g/cm³
PSA	20.23000	LogP	2.00160
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₄O	Boiling Point	258.8 °C at 760 mmHg
Molecular Weight	150.221	Flash Point	114.3 °C
Transport Information	N/A	Appearance	colourless liquid
Safety	23-24/25-45-36/37/39-27-26	Risk Codes	34
Molecular Structure		Hazard Symbols	Xi, C
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;	Article Data	146

4-Phenylbutanol Synthetic route

: 7492-40-2
4-phenylbutyl acetate

A: 3360-41-6
4-phenyl-butan-1-ol

B: 108-95-2
phenol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

4-Phenylbutanol Chemical Properties

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

4-Phenylbutanol Safety Profile

Hazard Codes of Benzenebutanol (CAS NO.3360-41-6): Irritant Xi, Corrosive C
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

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