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583-03-9

583-03-9 Structure

583-03-9 Structure
IdentificationMore
[Name]

Fenipentol
[CAS]

583-03-9
[Synonyms]

1-PHENYL-1-PENTANOL
ALPHA-BUTYLBENZYL ALCOHOL
AURORA KA-6945
N-BUTYLPHENYLCARBINOL
1-Hydroxy-1-phenylpentane
1-Pentanol, 1-phenyl-
1-Phenyl-1-hydroxypentane
1-Phenylpentanol
alpha-butyl-benzenemethano
alpha-Butylbenzenemethanol
alpha-butyl-benzylalcoho
Benzenemethanol, alpha-butyl-
Benzyl alcohol, alpha-butyl-
fenipentol
Pancoral
PC 1
pc1
PH BC
phbc
Phenylbutylcarbinol
[EINECS(EC#)]

209-493-9
[Molecular Formula]

C11H16O
[MDL Number]

MFCD00021935
[Molecular Weight]

164.24
[MOL File]

583-03-9.mol
Chemical PropertiesBack Directory
[Melting point ]

<25 °C
[Boiling point ]

137°C 2mm
[density ]

0,96 g/cm3
[refractive index ]

1.5080
[Fp ]

137°C/2mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

14.43±0.20(Predicted)
[color ]

Colorless to Almost colorless
[Merck ]

14,3975
[BRN ]

1908761
[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
[InChIKey]

OVGORFFCBUIFIA-UHFFFAOYSA-N
[SMILES]

C(C1C=CC=CC=1)(O)CCCC
[CAS DataBase Reference]

583-03-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Fenipentol(583-03-9)
[EPA Substance Registry System]

583-03-9(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RTECS ]

DN8780000
[TSCA ]

Yes
[HS Code ]

2906.29.6000
[Safety Profile]

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Other experimental reproductive effects. Stimulates the production of bile by the liver. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard InformationBack Directory
[Physical properties]

White solid lumps or crystalline powder. M.P. 69°C. B.P. 285°C.
Insoluble in water, soluble in alcohol and oils.
[Originator]

Pancoral,Eisai,Japan,1973
[Uses]

Biliary dyskinesia;Choleretic
[Definition]

ChEBI: Fenipentol is a member of benzenes.
[Production Methods]

Fenipentol can be produced by reduction of Valerophenone with Sodium.
[Manufacturing Process]

The 1-phenylpentanol-(1) may be prepared in any convenient manner. Benzaldehyde may be reacted with n-butyl-magnesium bromide, and after purification 1-phenyl-pentanol-(1) is obtained in the form of a colorless oil at room temperature.
[Therapeutic Function]

Choleretic
[Synthesis Reference(s)]

Tetrahedron Letters, 25, p. 5187, 1984 DOI: 10.1016/S0040-4039(01)81559-8
Questions And AnswerBack Directory
[Aroma]

Mild floral odor, slightly green, woody- barklike. One manufacturer classifies Fenipentol as "Orris-like". Useful as a fixative in Lilac or as a modifierfixative for compositions where Linalool is present.
Spectrum DetailBack Directory
[Spectrum Detail]

Fenipentol(583-03-9)MS
Fenipentol(583-03-9)1HNMR
Fenipentol(583-03-9)13CNMR
Fenipentol(583-03-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Phenyl-1-pentanol, 95%(583-03-9)
[Sigma Aldrich]

583-03-9(sigmaaldrich)
[TCI AMERICA]

1-Phenyl-1-pentanol,>98.0%(GC)(583-03-9)
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