Fenipentol supplier | CasNO.583-03-9

Name
Fenipentol
EINECS 209-493-9
CAS No. 583-03-9
Article Data184
CAS DataBase
Density 0,96 g/cm³
Solubility
Melting Point <25 °C
Formula C₁₁H₁₆O
Boiling Point 245.2 °C at 760 mmHg
Molecular Weight 164.247
Flash Point 110.7 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, a-butyl- (6CI,7CI,8CI);(?à)-1-Phenyl-1-pentanol;(?à)-a-Butylbenzyl alcohol;1-Pentanol, 1-phenyl-;1-Phenyl-1-hydroxy-n-pentane;1-Phenyl-1-hydroxypentane;1-Phenyl-1-pentanol;1-Phenylpentanol;Fenipentol;NSC 8478;Pancoral;Ph BC;Phenylbutylcarbinol;a-Butylbenzenemethanol;a-Butylbenzyl alcohol;
PSA 20.23000
LogP 2.91020

Synthetic route

: 109-72-8, 29786-93-4
n-butyllithium

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
In tetrahydrofuran; hexane at -78 - 20℃;	100%
Stage #1: n-butyllithium With mischmetall tribromide In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: benzaldehyde In tetrahydrofuran; hexane at -78℃; for 3h; Imamoto reaction;	98%
In hexane at -78 - 20℃; for 1.16667h;	95%

: 1009-14-9
phenyl butyl ketone

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With C28H35ClCoN5(1+)*Cl(1-); potassium tert-butylate; hydrogen In tetrahydrofuran at 20℃; under 22502.3 Torr; for 16h; Autoclave;	99%
With (4-NHCpr)Triaz(NHPiPr2)2Mn(CO)2Br; potassium tert-butylate; hydrogen In toluene at 80℃; under 15001.5 Torr; for 4h; Inert atmosphere; Autoclave;	98%
With sodium tetrahydroborate In methanol at 20℃; for 2h;	96%

: 109-65-9
1-bromo-butane

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
Stage #1: 1-bromo-butane With magnesium; lithium chloride In tetrahydrofuran at 50℃; for 0.125h; Flow reactor; Stage #2: benzaldehyde In tetrahydrofuran at 20℃; for 0.333333h; Flow reactor;	98%
Stage #1: 1-bromo-butane With magnesium; ethylene dibromide In 2-methyltetrahydrofuran at 20℃; Inert atmosphere; Stage #2: benzaldehyde In 2-methyltetrahydrofuran at 0 - 20℃; for 1.25h; Grignard reaction; Inert atmosphere; chemoselective reaction;	86%
With magnesium 1) Et2O, 40 deg C, 1h, 2) 35 deg C, 1h; Multistep reaction;

: 64346-32-3
triethyl-butyl plumbane

: 100-52-7
benzaldehyde

A: 93-54-9
1-Phenyl-1-propanol

B: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78 - -30℃;	A 98% B 1.7%

...Expand

: 80735-94-0
1-Phenyl-3-buten-1-ol

: 917-54-4
methyllithium

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With cerium(III) chloride; lithium hydride In tetrahydrofuran at -78℃; for 72h;	94%

: 4333-56-6
cyclopropyl bromide

: 100-52-7
benzaldehyde

: tri-n-butyllithium magnesate complex

A: 583-03-9
1-Phenyl-1-pentanol

B: 1007-03-0
1-phenyl-1-cyclopropylmethanol

Conditions

Conditions	Yield
Stage #1: cyclopropyl bromide; tri-n-butyllithium magnesate complex In tetrahydrofuran; hexane at 0℃; for 0.5h; Stage #2: benzaldehyde In tetrahydrofuran; hexane at -78 - -60℃;	A n/a B 91%

...Expand

: 109-72-8, 29786-93-4
n-butyllithium

: 410097-82-4
1-[(tert-butyl-dimethyl-silanyloxy)-phenyl-methyl]-1H-imidazole

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
In tetrahydrofuran at -78℃; for 0.166667h;	90%

: 122-56-5
tributyl borane

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; bis(1,5-cyclooctadiene)nickel (0) In tetrahydrofuran; water at 20℃; for 20h; Product distribution; Further Variations:; Solvents; amount of water; with additive;	90%
With bis(1,5-cyclooctadiene)nickel (0); tri-tert-butyl phosphine; caesium carbonate In tetrahydrofuran; hexane; toluene at 20℃; for 24h;	86%

: 109-72-8, 29786-93-4
n-butyllithium

: 166820-36-6
1-(Benzyloxy)-5-(trimethylsilyl)pyrazole

A: 583-03-9
1-Phenyl-1-pentanol

B: 3(5)-trimethylsilylpyrazole

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; hexane at -78℃; for 0.166667h; Elimination; addition;	A 88% B 84%

...Expand

: 936-51-6
2-phenyl-1,3-dioxolane

: 24406-16-4
lithium di-n-butylcuprate

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
Stage #1: 2-phenyl-1,3-dioxolane With sodium dodecyl-sulfate; toluene-4-sulfonic acid In tetrahydrofuran; water at 25℃; for 3.5h; Stage #2: lithium di-n-butylcuprate In diethyl ether; hexane at 25℃; for 12h; Further stages.;	87%
Stage #1: 2-phenyl-1,3-dioxolane With water; sodium dodecyl-sulfate; toluene-4-sulfonic acid In tetrahydrofuran at 25℃; for 3.5h; Inert atmosphere; polydimethylsiloxane (PDMS) thimble; Stage #2: lithium di-n-butylcuprate In hexanes; diethyl ether for 12h; Stage #3: With water In hexanes; diethyl ether	87%

: 5005-35-6
2-pyridyl benzoate

: 42930-39-2
n-butylzinc chloride

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With bis(acetylacetonate)nickel(II) In N,N-dimethyl-formamide at 0 - 50℃; for 12h; Reagent/catalyst; Inert atmosphere; Schlenk technique; Sealed tube;	87%

: 126-73-8
phosphoric acid tributyl ester

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With lithium In tetrahydrofuran at -30℃; for 0.25h;	86%

: 542-69-8
1-iodo-butane

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
Stage #1: 1-iodo-butane With N-butylpyridinium tetrafluoroborate at 20℃; for 1h; Stage #2: benzaldehyde With pyridine at 20℃; for 12h; Further stages.;	80%
With N,N,N,N,N,N-hexamethylphosphoric triamide; sec.-butyllithium; samarium(III) trifluoromethanesulfonate 1.) THF, cyclohexane, room temperature, 1 h, 2.) THF, cyclohexane, room temperature, 1 h; Yield given. Multistep reaction;
Yield given. Multistep reaction;

: 100-52-7
benzaldehyde

: Tributyl-((2S,6S)-6-isopropyl-2-phenyl-tetrahydro-pyran-2-yloxymethyl)-stannane

A: 583-03-9
1-Phenyl-1-pentanol

B: 2-[(2R,6S)-6-isopropyl-2-phenyltetrahydro-2H-2-pyranyl]oxy-1-phenyl-1-ethanol

Conditions

Conditions	Yield
Stage #1: Tributyl-((2S,6S)-6-isopropyl-2-phenyl-tetrahydro-pyran-2-yloxymethyl)-stannane With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: benzaldehyde In tetrahydrofuran; hexane for 0.5h; Further stages.;	A 17% B 80%

...Expand

: 109-72-8, 29786-93-4
n-butyllithium

: 100-52-7
benzaldehyde

A: 583-03-9
1-Phenyl-1-pentanol

B: 85864-61-5
2,2-difluoro-1-phenyl-3-buten-1-ol

Conditions

Conditions	Yield
With 3-bromo-3,3-difluropropene In tetrahydrofuran; diethyl ether; hexane; pentane at -95℃;	A 78% B n/a

...Expand

: 122-56-5
tributyl borane

: 1-benzyl-tetrahydro-thiophenium tetrafluoroborate

A: 583-03-9
1-Phenyl-1-pentanol

B: 38610-98-9
1,2-diphenylhexan-1-ol

Conditions

Conditions	Yield
Stage #1: tributyl borane; 1-benzyl-tetrahydro-thiophenium tetrafluoroborate With lithium hexamethyldisilazane In tetrahydrofuran; 1,4-dioxane at 5℃; for 5h; Stage #2: With sodium hydroxide; dihydrogen peroxide	A 78% B 11%

...Expand

: 693-03-8
n-butyl magnesium bromide

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With tributyl(2-methoxyethyl)phosphonium bis(CF3SO2)imide In tetrahydrofuran at 0℃; Grignard reaction;	76%

: 109-72-8, 29786-93-4
n-butyllithium

: 4519-46-4
methyl 2-bromoacrylate

: 100-52-7
benzaldehyde

A: 583-03-9
1-Phenyl-1-pentanol

B: 33553-90-1
4-hydroxy-4-phenyl-but-2-ynoic acid methyl ester

Conditions

Conditions	Yield
In tetrahydrofuran at -78℃; for 3h; Inert atmosphere;	A 76% B 6%

...Expand

: 109-72-8, 29786-93-4
n-butyllithium

: 17887-55-7
2-trimethylsilylbenzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
Stage #1: n-butyllithium; 2-trimethylsilylbenzaldehyde With N,N,N,N,N,N-hexamethylphosphoric triamide; copper(l) iodide In tetrahydrofuran at -78 - 20℃; for 1h; Inert atmosphere; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;	74%

: 78350-68-2
chlorotitanium triisopropoxide

: 100-52-7
benzaldehyde

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
In diethyl ether for 6h; -20 deg C to 22 deg C;	72%
With N,N,N,N,-tetramethylethylenediamine In hexane for 16h; -70 deg C to room temperature; Yield given;

: 542-69-8
1-iodo-butane

: 100-52-7
benzaldehyde

A: 583-03-9
1-Phenyl-1-pentanol

B: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
Stage #1: 1-iodo-butane With 1-butylpyridinium bromide; N-butylpyridinium tetrafluoroborate; zinc at 50℃; for 1h; Stage #2: benzaldehyde at 20℃; for 12h;	A 70% B n/a

...Expand

: 109-72-8, 29786-93-4
n-butyllithium

: 100-52-7
benzaldehyde

A: 1009-14-9
phenyl butyl ketone

B: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
Stage #1: n-butyllithium; benzaldehyde In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: With N-(tert-butyl)benzenesulfinimidoyl chloride In tetrahydrofuran at -78℃; for 5h;	A 12% B 68%
With vanadium(III) chloride In dichloromethane for 16h; Product distribution; Heating; var. solvent, temp., time;

...Expand

: 1119-90-0
di-n-butylzinc

: 557-20-0
diethylzinc

: 100-52-7
benzaldehyde

A: 583-03-9
1-Phenyl-1-pentanol

B: 613-87-6
(S)-1-phenyl-1-propanol

Conditions

Conditions	Yield
With catalyst: (-)-3-exo-(dimethylamino)isoborneol In toluene toluene-soln. of catalyst added Bu2Zn at 30°C; after 15 min added Et2Zn; mixt. stirred for 10 min and cooled to 0°C; added benzaldehyde; mixt. stirred at 0°C for 6 h; quenched (water); analyzed by HPLC;	A 14% B 68%
With catalyst: (-)-3-exo-(dimethylamino)isoborneol In toluene toluene-soln. of catalyst added Et2Zn at 30°C; after 15 min added Bu2Zn; cooled to 0°C; added benzaldehyde; mixt. stirred at 0°C for 6 h; quenched (water); analyzed by HPLC;	A 35% B 44%

...Expand

: (ZnC3H6CH3N(CH3)2CHCH(C(CH3)2C2H4)C(CH3)CHO)2

: 557-20-0
diethylzinc

: 100-52-7
benzaldehyde

A: 583-03-9
1-Phenyl-1-pentanol

B: 613-87-6
(S)-1-phenyl-1-propanol

Conditions

Conditions	Yield
In toluene toluene-soln. of Zn-complex added benzaldehyde; cooled to 0°C; added Et2Zn; mixt. stirred at 0°C for 6 h; quenched (water); analyzed by HPLC;	A 14% B 67%
In toluene toluene-soln. of Zn-complex added Bu2Zn; mixt. stirred at -78°C; added benzaldehyde; mixt. stirred at 0°C for 6 h; quenched (water); analyzed by HPLC;	A 13% B 66%

...Expand

: 93-89-0
benzoic acid ethyl ester

: 693-04-9
butyl magnesium bromide

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
Stage #1: benzoic acid ethyl ester With lithium diisobutyl-tert-butoxyaluminum hydride In tetrahydrofuran; hexane at 0℃; for 3h; Stage #2: butyl magnesium bromide In tetrahydrofuran; diethyl ether; hexane at 20℃; for 0.5h; Stage #3: With hydrogenchloride; water In tetrahydrofuran; diethyl ether; hexane	66%
With lithium borohydride In tetrahydrofuran at 0℃; for 24h;	61%

: 109-72-8, 29786-93-4
n-butyllithium

: 100-52-7
benzaldehyde

A: 93-56-1
phenylethane 1,2-diol

B: 583-03-9
1-Phenyl-1-pentanol

C: 65-85-0
benzoic acid

D: 100-51-6
benzyl alcohol

E Tetrabutylzinn, (Tributylstannylmethyl)-benzoat: Tetrabutylzinn, (Tributylstannylmethyl)-benzoat

Conditions

Conditions	Yield
Yield given. Multistep reaction;	A 65% B n/a C n/a D 8% E n/a

...Expand

: 71-23-8
propan-1-ol

: 98-85-1, 13323-81-4
1-Phenylethanol

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With C17H15Cl3N5Ru; potassium hydroxide at 110℃; under 750.075 Torr; for 12h; Inert atmosphere; Sealed tube; Green chemistry;	65%
With [(4-(4-CF3)-Ph)Tr(NP(iPr)2)(NHP(iPr)2)Ir(cod)]; potassium tert-butylate In 1,4-dioxane at 125℃; for 4h; Inert atmosphere; Sealed tube;

: 98-87-3
benzylidene dichloride

: 122-56-5
tributyl borane

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With sodium perborate; tert.-butyl lithium In tetrahydrofuran 1.) -78 deg C, 30 min; 2.) r.t., 2 h;	64%

: 109-72-8, 29786-93-4
n-butyllithium

: 1514-82-5
2-bromo-3,3,3-trifluoropropene

: 100-52-7
benzaldehyde

A: 583-03-9
1-Phenyl-1-pentanol

B: 14633-65-9
1-phenyl-2-(trifluoromethyl)-2-propen-1-ol

Conditions

Conditions	Yield
Stage #1: n-butyllithium; 2-bromo-3,3,3-trifluoropropene In diethyl ether at -100℃; for 0.25h; Stage #2: benzaldehyde In diethyl ether at -100℃; for 0.25h;	A 64% B 25%

...Expand

: 110-62-3
pentanal

: 98-80-6
phenylboronic acid

: 583-03-9
1-Phenyl-1-pentanol

Conditions

Conditions	Yield
With chlorobis(cyclooctene)rhodium(I) dimer; α-Oxo-phenylmethan-diphenylphosphin; sodium carbonate In water; toluene at 60℃; Schlenk technique; Inert atmosphere;	64%

: 583-03-9
1-Phenyl-1-pentanol

: 1009-14-9
phenyl butyl ketone

Conditions

Conditions	Yield
With nickel(II) triflate; cyclohexanone; 1,2-bis-(dicyclohexylphosphino)ethane In toluene at 110℃; for 12h; Schlenk technique;	99%
With Oxone; 3,3'-diiodo-2,2',6,6'-tetramethoxy-4,4'-biphenyldicarboxylic acid In nitromethane; water at 30 - 35℃; for 11.5h;	98%
With menthol; Dess-Martin periodane In dichloromethane for 0.333333h; Dess-Martin oxidation;	95%

: 583-03-9
1-Phenyl-1-pentanol

: 127356-65-4
1-bromo-1-phenylpentane

Conditions

Conditions	Yield
With sulfurous dibromide In toluene for 6h;	99%
With pyridine; phosphorus tribromide In diethyl ether for 2.5h; Ambient temperature;	77%
With phosphorus tribromide In diethyl ether at 0 - 20℃;	22%

: 75-77-4
chloro-trimethyl-silane

: 583-03-9
1-Phenyl-1-pentanol

: trimethyl-(1-phenylpentoxy)silane

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 24h; Inert atmosphere;	96%

: 583-03-9
1-Phenyl-1-pentanol

: 545-06-2
trichloroacetonitrile

: 2,2,2-trichloro-N-(1-phenylpentyl)acetimidate

Conditions

Conditions	Yield
Stage #1: 1-Phenyl-1-pentanol With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 0.25h; Inert atmosphere; Stage #2: trichloroacetonitrile In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere;	96%

: 32315-10-9
bis(trichloromethyl) carbonate

: 583-03-9
1-Phenyl-1-pentanol

: 1-phenylpentyl chloroformate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	96%

: 75-15-0
carbon disulfide

: 583-03-9
1-Phenyl-1-pentanol

: 74-88-4
methyl iodide

: S-methyl O-1-phenyl-1-pentyl dithiocarbonate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; 1-Phenyl-1-pentanol With sodium hydride In tetrahydrofuran at 20℃; for 10h; Addition; Stage #2: methyl iodide In tetrahydrofuran at 20℃; for 1h; Methylation;	95%

...Expand

: 583-03-9
1-Phenyl-1-pentanol

: 637-89-8
4-sulfanylphenol

: 84851-63-8
1-hydroxy-4-<(1-phenylpentyl)thio>benzene

Conditions

Conditions	Yield
With zinc(II) iodide In 1,2-dichloro-ethane for 4h; Ambient temperature;	94%

: 106-31-0
butanoic acid anhydride

: 583-03-9
1-Phenyl-1-pentanol

: 58687-94-8
1-phenylpentyl butyrate

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃;	94%

: 583-03-9
1-Phenyl-1-pentanol

: 538-68-1
pentylbenzene

Conditions

Conditions	Yield
With sulfuric acid; nickel In water at 10℃; for 2h;	92%
With chloro-trimethyl-silane; acetonitrile; sodium iodide In hexane for 24h; Ambient temperature;	74%
With chloro-trimethyl-silane; acetonitrile; sodium iodide In hexane for 24h; Ambient temperature;	74%

: 583-03-9
1-Phenyl-1-pentanol

: 108-24-7
acetic anhydride

: 38488-01-6
1-phenyl-1-(acetyloxy)pentane

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃;	92%
With pyridine; triethylamine In dichloromethane at 20℃;	80%
With triethylamine In dichloromethane

: 583-03-9
1-Phenyl-1-pentanol

: 65-85-0
benzoic acid

: 1312799-25-9
1-oxo-1-phenylpentan-2-yl benzoate

Conditions

Conditions	Yield
Stage #1: 1-Phenyl-1-pentanol; benzoic acid With N-Bromosuccinimide In 1,4-dioxane at 60℃; for 1h; Sealed tube; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane at 60℃; for 4h;	92%
Stage #1: 1-Phenyl-1-pentanol; benzoic acid With N-Bromosuccinimide In 1,4-dioxane at 60℃; for 1h; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane for 4h;	92%
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water; ethyl acetate at 100℃; for 12h; Schlenk technique;	70%

: 583-03-9
1-Phenyl-1-pentanol

: 68602-14-2
<1-(phenylthio)pentyl>benzene

Conditions

Conditions	Yield
With zinc(II) iodide In 1,2-dichloro-ethane for 0.666667h; Ambient temperature;	91%

: 109-79-5
1-butanethiol

: 583-03-9
1-Phenyl-1-pentanol

: 84851-58-1
<(1-phenylpentyl)thio>butane

Conditions

Conditions	Yield
With zinc(II) iodide In 1,2-dichloro-ethane for 8h; Ambient temperature;	90%

: 763-35-9
β-mercaptopropionamide

: 583-03-9
1-Phenyl-1-pentanol

: 84851-60-5
3-<(phenylpentyl)thio>propanamide

Conditions

Conditions	Yield
With zinc(II) iodide In 1,2-dichloro-ethane for 8h; Ambient temperature;	90%

: 67-56-1
methanol

: 583-03-9
1-Phenyl-1-pentanol

: 93-58-3
benzoic acid methyl ester

Conditions

Conditions	Yield
With oxygen; potassium carbonate at 150℃; under 4500.45 Torr; for 48h; Autoclave;	90%

: 583-03-9
1-Phenyl-1-pentanol

: 81290-20-2
(trifluoromethyl)trimethylsilane

: (1-(trifluoromethoxy)pentyl)benzene

Conditions

Conditions	Yield
With potassium fluoride; 2-fluoropyridine; silver trifluoromethanesulfonate; Selectfluor In ethyl acetate at 20℃; for 12h; Glovebox; Inert atmosphere;	87%

: 583-03-9
1-Phenyl-1-pentanol

: 6302-65-4
methyl 4-mercaptobenzoate

: 84851-61-6
methyl 4-<(1-phenylpentyl)thio>benzoate

Conditions

Conditions	Yield
With zinc(II) iodide In 1,2-dichloro-ethane for 3h; Ambient temperature;	86%

: 583-03-9
1-Phenyl-1-pentanol

: 106-53-6
para-bromobenzenethiol

: 84851-62-7
1-bromo-4-<(1-phenylpentyl)thio>benzene

Conditions

Conditions	Yield
With zinc(II) iodide In 1,2-dichloro-ethane for 0.333333h; Ambient temperature;	86%

Fenipentol Consensus Reports

Reported in EPA TSCA Inventory.

Fenipentol Specification

The Fenipentol is an organic compound with the formula C₁₁H₁₆O. The IUPAC name of this chemical is 1-phenylpentan-1-ol. With the CAS registry number 583-03-9, it is also named as a-Butylbenzenemethanol. The product's classification codes are Cholagogues and Choleretics; Drug / Therapeutic Agent; Gastrointestinal Agents; Reproductive Effect. Besides, it should be stored in a closed cool dry place. When you are using it, avoid contact with skin and eyes.

Physical properties about Fenipentol are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 107.59; (5)ACD/BCF (pH 7.4): 107.59; (6)ACD/KOC (pH 5.5): 990.74; (7)ACD/KOC (pH 7.4): 990.74; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 51.23 cm³; (14)Molar Volume: 170 cm³; (15)Polarizability: 20.31×10^-24cm³; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 0.965 g/cm³; (18)Flash Point: 110.7 °C; (19)Enthalpy of Vaporization: 50.96 kJ/mol; (20)Boiling Point: 245.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-phenyl-pentan-1-one. This reaction will need reagent NaBH₄.

Uses of Fenipentol: it can be used to produce (1-bromo-pentyl)-benzene. It will need reagent SOBr₂ and solvent toluene, various solvent(s) with reaction time of 6 hours. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)CCCC
(2)InChI: InChI=1/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
(3)InChIKey: OVGORFFCBUIFIA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
(5)Std. InChIKey: OVGORFFCBUIFIA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	188mg/kg (188mg/kg)	Drugs in Japan Vol. 6, Pg. 657, 1982.
mouse	LD50	oral	2900mg/kg (2900mg/kg)	Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 14, Pg. 261, 1965.
mouse	LD50	subcutaneous	3153mg/kg (3153mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat	LD50	intraperitoneal	256mg/kg (256mg/kg)	Drugs in Japan Vol. 6, Pg. 657, 1982.
rat	LD50	oral	5432mg/kg (5432mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat	LD50	subcutaneous	6930mg/kg (6930mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.

Product Name

Fenipentol

Synthetic route

Fenipentol Consensus Reports

Fenipentol Specification

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